I: pbuilder: network access will be disabled during build I: Current time: Mon Mar 3 17:35:31 +14 2025 I: pbuilder-time-stamp: 1740972931 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.29.0-1.dsc] I: copying [./meep_1.29.0.orig.tar.gz] I: copying [./meep_1.29.0-1.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-1.dsc: unsupported subcommand dpkg-source: info: extracting meep in meep-1.29.0 dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz dpkg-source: info: unpacking meep_1.29.0-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/D01_modify_environment starting debug: Running on codethink04-arm64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Mar 3 03:35 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") BASH_VERSION='5.2.37(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=arm64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DIRSTACK=() DISTRIBUTION=unstable EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=aarch64 HOST_ARCH=arm64 IFS=' ' INVOCATION_ID=b03a416fbff14a43bf6b7e54a66cafb8 LANG=C LANGUAGE=nl_BE:nl LC_ALL=C MACHTYPE=aarch64-unknown-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=1494244 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.S6WBUFSd/pbuilderrc_JigS --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.S6WBUFSd/b2 --logfile b2/build.log meep_1.29.0-1.dsc' SUDO_GID=109 SUDO_UID=104 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://192.168.101.4:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19892 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however: Package architecture-is-64-bit is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-pytz{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch shared-mime-info wget xdg-user-dirs 0 packages upgraded, 281 newly installed, 0 to remove and 0 not upgraded. Need to get 222 MB of archives. After unpacking 954 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main arm64 libpython3.13-minimal arm64 3.13.2-1 [853 kB] Get: 2 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.6.4-1 [90.7 kB] Get: 3 http://deb.debian.org/debian unstable/main arm64 python3.13-minimal arm64 3.13.2-1 [1997 kB] Get: 4 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.13.2-1 [27.1 kB] Get: 5 http://deb.debian.org/debian unstable/main arm64 media-types all 12.0.0 [28.9 kB] Get: 6 http://deb.debian.org/debian unstable/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main arm64 tzdata all 2025a-2 [259 kB] Get: 8 http://deb.debian.org/debian unstable/main arm64 libffi8 arm64 3.4.7-1 [21.2 kB] Get: 9 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-6 [69.4 kB] Get: 10 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-6 [159 kB] Get: 11 http://deb.debian.org/debian unstable/main arm64 libpython3.13-stdlib arm64 3.13.2-1 [1914 kB] Get: 12 http://deb.debian.org/debian unstable/main arm64 python3.13 arm64 3.13.2-1 [745 kB] Get: 13 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.13.2-1 [10.0 kB] Get: 14 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.13.2-1 [28.1 kB] Get: 15 http://deb.debian.org/debian unstable/main arm64 python3-numpy-dev arm64 1:2.2.3+ds-4 [136 kB] Get: 16 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.1-2 [104 kB] Get: 17 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14.2.0-17 [361 kB] Get: 18 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.1-2 [1819 kB] Get: 19 http://deb.debian.org/debian unstable/main arm64 python3-numpy arm64 1:2.2.3+ds-4 [3596 kB] Get: 20 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 21 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.45-3+b1 [314 kB] Get: 22 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.45-3+b1 [102 kB] Get: 23 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.45-3+b1 [43.4 kB] Get: 24 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.23.1-1 [241 kB] Get: 25 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB] Get: 26 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-7 [1129 kB] Get: 27 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40.4-5 [92.0 kB] Get: 28 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 29 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 30 http://deb.debian.org/debian unstable/main arm64 architecture-properties arm64 0.2.6 [2336 B] Get: 31 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-5 [284 kB] Get: 32 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.72-3 [493 kB] Get: 33 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 34 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.17-3 [862 kB] Get: 35 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.23.1-1 [770 kB] Get: 36 http://deb.debian.org/debian unstable/main arm64 libtcl8.6 arm64 8.6.16+dfsg-1 [984 kB] Get: 37 http://deb.debian.org/debian unstable/main arm64 libbrotli1 arm64 1.1.0-2+b7 [308 kB] Get: 38 http://deb.debian.org/debian unstable/main arm64 libpng16-16t64 arm64 1.6.47-1 [274 kB] Get: 39 http://deb.debian.org/debian unstable/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 40 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 41 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 42 http://deb.debian.org/debian unstable/main arm64 fontconfig-config arm64 2.15.0-2 [317 kB] Get: 43 http://deb.debian.org/debian unstable/main arm64 libfontconfig1 arm64 2.15.0-2 [386 kB] Get: 44 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB] Get: 45 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.5-1 [27.8 kB] Get: 46 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB] Get: 47 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.10-2 [337 kB] Get: 48 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB] Get: 49 http://deb.debian.org/debian unstable/main arm64 libxrender1 arm64 1:0.9.10-1.1+b4 [27.2 kB] Get: 50 http://deb.debian.org/debian unstable/main arm64 libxft2 arm64 2.3.6-1+b4 [51.6 kB] Get: 51 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b3 [49.2 kB] Get: 52 http://deb.debian.org/debian unstable/main arm64 x11-common all 1:7.7+24 [217 kB] Get: 53 http://deb.debian.org/debian unstable/main arm64 libxss1 arm64 1:1.2.3-1+b3 [17.1 kB] Get: 54 http://deb.debian.org/debian unstable/main arm64 libtk8.6 arm64 8.6.16-1 [741 kB] Get: 55 http://deb.debian.org/debian unstable/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7+b1 [538 kB] Get: 56 http://deb.debian.org/debian unstable/main arm64 blt arm64 2.5.3+dfsg-7+b1 [6344 B] Get: 57 http://deb.debian.org/debian unstable/main arm64 chrpath arm64 0.18-1 [13.2 kB] Get: 58 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.2-1 [23.9 kB] Get: 59 http://deb.debian.org/debian unstable/main arm64 comerr-dev arm64 2.1-1.47.2-1 [55.9 kB] Get: 60 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 61 http://deb.debian.org/debian unstable/main arm64 libtool all 2.5.4-3 [539 kB] Get: 62 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 66 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.192-4 [189 kB] Get: 67 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 68 http://deb.debian.org/debian unstable/main arm64 libunistring5 arm64 1.3-1 [449 kB] Get: 69 http://deb.debian.org/debian unstable/main arm64 libicu72 arm64 72.1-6 [9239 kB] Get: 70 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.2+b2 [630 kB] Get: 71 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.23.1-1 [1610 kB] Get: 72 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.24.1 [920 kB] Get: 75 http://deb.debian.org/debian unstable/main arm64 diffstat arm64 1.67-1 [32.6 kB] Get: 76 http://deb.debian.org/debian unstable/main arm64 ed arm64 1.21-1 [60.0 kB] Get: 77 http://deb.debian.org/debian unstable/main arm64 fonts-lyx all 2.4.3-1 [190 kB] Get: 78 http://deb.debian.org/debian unstable/main arm64 libgfortran-14-dev arm64 14.2.0-17 [418 kB] Get: 79 http://deb.debian.org/debian unstable/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-17 [9794 kB] Get: 80 http://deb.debian.org/debian unstable/main arm64 gfortran-14 arm64 14.2.0-17 [14.0 kB] Get: 81 http://deb.debian.org/debian unstable/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.2.0-1 [1284 B] Get: 82 http://deb.debian.org/debian unstable/main arm64 gfortran arm64 4:14.2.0-1 [1424 B] Get: 83 http://deb.debian.org/debian unstable/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 84 http://deb.debian.org/debian unstable/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.10-4 [6837 kB] Get: 85 http://deb.debian.org/debian unstable/main arm64 guile-3.0 arm64 3.0.10+really3.0.10-4 [22.7 kB] Get: 86 http://deb.debian.org/debian unstable/main arm64 libncurses6 arm64 6.5+20250216-1 [96.1 kB] Get: 87 http://deb.debian.org/debian unstable/main arm64 libncurses-dev arm64 6.5+20250216-1 [341 kB] Get: 88 http://deb.debian.org/debian unstable/main arm64 libreadline-dev arm64 8.2-6 [155 kB] Get: 89 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.5.4-3 [415 kB] Get: 90 http://deb.debian.org/debian unstable/main arm64 libltdl-dev arm64 2.5.4-3 [168 kB] Get: 91 http://deb.debian.org/debian unstable/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-3 [329 kB] Get: 92 http://deb.debian.org/debian unstable/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-3 [621 kB] Get: 93 http://deb.debian.org/debian unstable/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB] Get: 94 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB] Get: 95 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get: 96 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get: 97 http://deb.debian.org/debian unstable/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.10-4 [151 kB] Get: 98 http://deb.debian.org/debian unstable/main arm64 hdf5-helpers arm64 1.14.5+repack-3 [26.6 kB] Get: 99 http://deb.debian.org/debian unstable/main arm64 libnl-3-200 arm64 3.7.0-0.3+b1 [57.0 kB] Get: 100 http://deb.debian.org/debian unstable/main arm64 libnl-route-3-200 arm64 3.7.0-0.3+b1 [167 kB] Get: 101 http://deb.debian.org/debian unstable/main arm64 libibverbs1 arm64 56.0-2 [58.5 kB] Get: 102 http://deb.debian.org/debian unstable/main arm64 ibverbs-providers arm64 56.0-2 [333 kB] Get: 103 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.21.3-4 [32.2 kB] Get: 104 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.21.3-4 [81.5 kB] Get: 105 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B] Get: 106 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.21.3-4 [308 kB] Get: 107 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.21.3-4 [127 kB] Get: 108 http://deb.debian.org/debian unstable/main arm64 libgssrpc4t64 arm64 1.21.3-4 [56.9 kB] Get: 109 http://deb.debian.org/debian unstable/main arm64 libkadm5clnt-mit12 arm64 1.21.3-4 [41.0 kB] Get: 110 http://deb.debian.org/debian unstable/main arm64 libkdb5-10t64 arm64 1.21.3-4 [41.0 kB] Get: 111 http://deb.debian.org/debian unstable/main arm64 libkadm5srv-mit12 arm64 1.21.3-4 [53.1 kB] Get: 112 http://deb.debian.org/debian unstable/main arm64 krb5-multidev arm64 1.21.3-4 [126 kB] Get: 113 http://deb.debian.org/debian unstable/main arm64 libaec0 arm64 1.1.3-1+b1 [22.5 kB] Get: 114 http://deb.debian.org/debian unstable/main arm64 libsz2 arm64 1.1.3-1+b1 [8044 B] Get: 115 http://deb.debian.org/debian unstable/main arm64 libaec-dev arm64 1.1.3-1+b1 [20.2 kB] Get: 116 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20250104-1 [89.3 kB] Get: 117 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB] Get: 118 http://deb.debian.org/debian unstable/main arm64 libllvm17t64 arm64 1:17.0.6-21 [21.3 MB] Get: 119 http://deb.debian.org/debian unstable/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b2 [12.1 MB] Get: 120 http://deb.debian.org/debian unstable/main arm64 libdrm-common all 2.4.124-1 [8180 B] Get: 121 http://deb.debian.org/debian unstable/main arm64 libdrm2 arm64 2.4.124-1 [38.2 kB] Get: 122 http://deb.debian.org/debian unstable/main arm64 libdrm-amdgpu1 arm64 2.4.124-1 [21.8 kB] Get: 123 http://deb.debian.org/debian unstable/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB] Get: 124 http://deb.debian.org/debian unstable/main arm64 libhsakmt1 arm64 6.2.4+ds-1 [58.3 kB] Get: 125 http://deb.debian.org/debian unstable/main arm64 libhsa-runtime64-1 arm64 6.1.2-3 [302 kB] Get: 126 http://deb.debian.org/debian unstable/main arm64 libamdhip64-5 arm64 5.7.1-5+b1 [8826 kB] Get: 127 http://deb.debian.org/debian unstable/main arm64 libblas-dev arm64 3.12.1-2 [111 kB] Get: 128 http://deb.debian.org/debian unstable/main arm64 libbrotli-dev arm64 1.1.0-2+b7 [308 kB] Get: 129 http://deb.debian.org/debian unstable/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB] Get: 130 http://deb.debian.org/debian unstable/main arm64 libctl-dev arm64 4.5.1-3 [101 kB] Get: 131 http://deb.debian.org/debian unstable/main arm64 libidn2-0 arm64 2.3.7-2+b1 [127 kB] Get: 132 http://deb.debian.org/debian unstable/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-9 [20.1 kB] Get: 133 http://deb.debian.org/debian unstable/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-9 [55.6 kB] Get: 134 http://deb.debian.org/debian unstable/main arm64 libldap2 arm64 2.6.9+dfsg-1 [179 kB] Get: 135 http://deb.debian.org/debian unstable/main arm64 libnghttp2-14 arm64 1.64.0-1 [71.3 kB] Get: 136 http://deb.debian.org/debian unstable/main arm64 libnghttp3-9 arm64 1.8.0-1 [63.2 kB] Get: 137 http://deb.debian.org/debian unstable/main arm64 libpsl5t64 arm64 0.21.2-1.1+b1 [57.1 kB] Get: 138 http://deb.debian.org/debian unstable/main arm64 libp11-kit0 arm64 0.25.5-3 [409 kB] Get: 139 http://deb.debian.org/debian unstable/main arm64 libtasn1-6 arm64 4.20.0-2 [47.3 kB] Get: 140 http://deb.debian.org/debian unstable/main arm64 libgnutls30t64 arm64 3.8.9-2 [1374 kB] Get: 141 http://deb.debian.org/debian unstable/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b5 [56.8 kB] Get: 142 http://deb.debian.org/debian unstable/main arm64 libssh2-1t64 arm64 1.11.1-1 [235 kB] Get: 143 http://deb.debian.org/debian unstable/main arm64 libcurl4t64 arm64 8.12.1-3 [339 kB] Get: 144 http://deb.debian.org/debian unstable/main arm64 libidn2-dev arm64 2.3.7-2+b1 [122 kB] Get: 145 http://deb.debian.org/debian unstable/main arm64 libkrb5-dev arm64 1.21.3-4 [15.9 kB] Get: 146 http://deb.debian.org/debian unstable/main arm64 libldap-dev arm64 2.6.9+dfsg-1 [305 kB] Get: 147 http://deb.debian.org/debian unstable/main arm64 libnghttp2-dev arm64 1.64.0-1 [112 kB] Get: 148 http://deb.debian.org/debian unstable/main arm64 libnghttp3-dev arm64 1.8.0-1 [89.4 kB] Get: 149 http://deb.debian.org/debian unstable/main arm64 libpsl-dev arm64 0.21.2-1.1+b1 [77.9 kB] Get: 150 http://deb.debian.org/debian unstable/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10+b1 [170 kB] Get: 151 http://deb.debian.org/debian unstable/main arm64 libunbound8 arm64 1.22.0-1+b1 [553 kB] Get: 152 http://deb.debian.org/debian unstable/main arm64 libgnutls-dane0t64 arm64 3.8.9-2 [452 kB] Get: 153 http://deb.debian.org/debian unstable/main arm64 libgnutls-openssl27t64 arm64 3.8.9-2 [452 kB] Get: 154 http://deb.debian.org/debian unstable/main arm64 libp11-kit-dev arm64 0.25.5-3 [208 kB] Get: 155 http://deb.debian.org/debian unstable/main arm64 libtasn1-6-dev arm64 4.20.0-2 [96.7 kB] Get: 156 http://deb.debian.org/debian unstable/main arm64 nettle-dev arm64 3.10.1-1 [1325 kB] Get: 157 http://deb.debian.org/debian unstable/main arm64 libgnutls28-dev arm64 3.8.9-2 [1419 kB] Get: 158 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB] Get: 159 http://deb.debian.org/debian unstable/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b5 [67.5 kB] Get: 160 http://deb.debian.org/debian unstable/main arm64 libssl-dev arm64 3.4.1-1 [3232 kB] Get: 161 http://deb.debian.org/debian unstable/main arm64 libssh2-1-dev arm64 1.11.1-1 [388 kB] Get: 162 http://deb.debian.org/debian unstable/main arm64 libzstd-dev arm64 1.5.6+dfsg-2 [329 kB] Get: 163 http://deb.debian.org/debian unstable/main arm64 libcurl4-openssl-dev arm64 8.12.1-3 [468 kB] Get: 164 http://deb.debian.org/debian unstable/main arm64 libdeflate0 arm64 1.23-1+b1 [42.5 kB] Get: 165 http://deb.debian.org/debian unstable/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10+b1 [126 kB] Get: 166 http://deb.debian.org/debian unstable/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10+b1 [54.4 kB] Get: 167 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.6.4-1 [143 kB] Get: 168 http://deb.debian.org/debian unstable/main arm64 librdmacm1t64 arm64 56.0-2 [67.1 kB] Get: 169 http://deb.debian.org/debian unstable/main arm64 libfabric1 arm64 1.17.0-3.1 [480 kB] Get: 170 http://deb.debian.org/debian unstable/main arm64 libfftw3-double3 arm64 3.3.10-2+b1 [337 kB] Get: 171 http://deb.debian.org/debian unstable/main arm64 libfftw3-long3 arm64 3.3.10-2+b1 [546 kB] Get: 172 http://deb.debian.org/debian unstable/main arm64 libfftw3-single3 arm64 3.3.10-2+b1 [517 kB] Get: 173 http://deb.debian.org/debian unstable/main arm64 libfftw3-bin arm64 3.3.10-2+b1 [44.3 kB] Get: 174 http://deb.debian.org/debian unstable/main arm64 libfftw3-dev arm64 3.3.10-2+b1 [1280 kB] Get: 175 http://deb.debian.org/debian unstable/main arm64 libfribidi0 arm64 1.0.16-1 [26.5 kB] Get: 176 http://deb.debian.org/debian unstable/main arm64 libgpg-error0 arm64 1.51-3 [78.5 kB] Get: 177 http://deb.debian.org/debian unstable/main arm64 libgcrypt20 arm64 1.11.0-7 [742 kB] Get: 178 http://deb.debian.org/debian unstable/main arm64 libgdsii0 arm64 0.2+ds.1-1+b2 [29.6 kB] Get: 179 http://deb.debian.org/debian unstable/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b2 [34.7 kB] Get: 180 http://deb.debian.org/debian unstable/main arm64 libglib2.0-0t64 arm64 2.83.5-1 [1422 kB] Get: 181 http://deb.debian.org/debian unstable/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB] Get: 182 http://deb.debian.org/debian unstable/main arm64 libgslcblas0 arm64 2.8+dfsg-5 [84.1 kB] Get: 183 http://deb.debian.org/debian unstable/main arm64 libgsl28 arm64 2.8+dfsg-5 [881 kB] Get: 184 http://deb.debian.org/debian unstable/main arm64 libgsl-dev arm64 2.8+dfsg-5 [1118 kB] Get: 185 http://deb.debian.org/debian unstable/main arm64 libharfbuzz0b arm64 10.2.0-1 [443 kB] Get: 186 http://deb.debian.org/debian unstable/main arm64 libharminv3 arm64 1.4.2-1+b1 [24.6 kB] Get: 187 http://deb.debian.org/debian unstable/main arm64 libharminv-dev arm64 1.4.2-1+b1 [15.1 kB] Get: 188 http://deb.debian.org/debian unstable/main arm64 libhdf5-310 arm64 1.14.5+repack-3 [1155 kB] Get: 189 http://deb.debian.org/debian unstable/main arm64 libhdf5-cpp-310 arm64 1.14.5+repack-3 [121 kB] Get: 190 http://deb.debian.org/debian unstable/main arm64 libhdf5-fortran-310 arm64 1.14.5+repack-3 [110 kB] Get: 191 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-310 arm64 1.14.5+repack-3 [66.1 kB] Get: 192 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-fortran-310 arm64 1.14.5+repack-3 [42.1 kB] Get: 193 http://deb.debian.org/debian unstable/main arm64 libhdf5-hl-cpp-310 arm64 1.14.5+repack-3 [24.4 kB] Get: 194 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo arm64 1:2.1.5-3.1 [173 kB] Get: 195 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3.1 [293 kB] Get: 196 http://deb.debian.org/debian unstable/main arm64 libjpeg-dev arm64 1:2.1.5-3.1 [72.0 kB] Get: 197 http://deb.debian.org/debian unstable/main arm64 libhdf5-dev arm64 1.14.5+repack-3 [3225 kB] Get: 198 http://deb.debian.org/debian unstable/main arm64 libhwloc15 arm64 2.12.0-1 [142 kB] Get: 199 http://deb.debian.org/debian unstable/main arm64 libmunge2 arm64 0.5.16-1 [19.2 kB] Get: 200 http://deb.debian.org/debian unstable/main arm64 libpciaccess0 arm64 0.17-3+b3 [51.2 kB] Get: 201 http://deb.debian.org/debian unstable/main arm64 libxnvctrl0 arm64 535.171.04-1+b2 [14.0 kB] Get: 202 http://deb.debian.org/debian unstable/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b2 [39.3 kB] Get: 203 http://deb.debian.org/debian unstable/main arm64 libhwloc-plugins arm64 2.12.0-1 [17.8 kB] Get: 204 http://deb.debian.org/debian unstable/main arm64 libpmix2t64 arm64 5.0.6-3 [576 kB] Get: 205 http://deb.debian.org/debian unstable/main arm64 libibumad3 arm64 56.0-2 [28.5 kB] Get: 206 http://deb.debian.org/debian unstable/main arm64 libibmad5 arm64 56.0-2 [42.3 kB] Get: 207 http://deb.debian.org/debian unstable/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 208 http://deb.debian.org/debian unstable/main arm64 libopenmpi40 arm64 5.0.7-1 [2087 kB] Get: 209 http://deb.debian.org/debian unstable/main arm64 libhdf5-openmpi-310 arm64 1.14.5+repack-3 [1207 kB] Get: 210 http://deb.debian.org/debian unstable/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB] Get: 211 http://deb.debian.org/debian unstable/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB] Get: 212 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 213 http://deb.debian.org/debian unstable/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 214 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 215 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 216 http://deb.debian.org/debian unstable/main arm64 liblapack-dev arm64 3.12.1-2 [3726 kB] Get: 217 http://deb.debian.org/debian unstable/main arm64 liblbfgsb0 arm64 3.0+dfsg.4-1+b2 [25.6 kB] Get: 218 http://deb.debian.org/debian unstable/main arm64 liblcms2-2 arm64 2.16-2 [151 kB] Get: 219 http://deb.debian.org/debian unstable/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB] Get: 220 http://deb.debian.org/debian unstable/main arm64 liblzf1 arm64 3.6-4+b3 [10.1 kB] Get: 221 http://deb.debian.org/debian unstable/main arm64 libopenjp2-7 arm64 2.5.3-1 [189 kB] Get: 222 http://deb.debian.org/debian unstable/main arm64 libpython3.13 arm64 3.13.2-1 [1970 kB] Get: 223 http://deb.debian.org/debian unstable/main arm64 libpython3.13-dev arm64 3.13.2-1 [4678 kB] Get: 224 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.13.2-1 [10.3 kB] Get: 225 http://deb.debian.org/debian unstable/main arm64 libqhull-r8.0 arm64 2020.2-6+b2 [229 kB] Get: 226 http://deb.debian.org/debian unstable/main arm64 libraqm0 arm64 0.10.2-1 [13.6 kB] Get: 227 http://deb.debian.org/debian unstable/main arm64 libsharpyuv0 arm64 1.5.0-0.1 [114 kB] Get: 228 http://deb.debian.org/debian unstable/main arm64 libwebp7 arm64 1.5.0-0.1 [271 kB] Get: 229 http://deb.debian.org/debian unstable/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 230 http://deb.debian.org/debian unstable/main arm64 libwebpdemux2 arm64 1.5.0-0.1 [113 kB] Get: 231 http://deb.debian.org/debian unstable/main arm64 libwebpmux3 arm64 1.5.0-0.1 [125 kB] Get: 232 http://deb.debian.org/debian unstable/main arm64 libxslt1.1 arm64 1.1.35-1.1+b1 [222 kB] Get: 233 http://deb.debian.org/debian unstable/main arm64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 234 http://deb.debian.org/debian unstable/main arm64 mpb arm64 1.11.1-6+b2 [192 kB] Get: 235 http://deb.debian.org/debian unstable/main arm64 mpb-dev arm64 1.11.1-6+b2 [8432 B] Get: 236 http://deb.debian.org/debian unstable/main arm64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 237 http://deb.debian.org/debian unstable/main arm64 python3-attr all 25.1.0-1 [68.7 kB] Get: 238 http://deb.debian.org/debian unstable/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 239 http://deb.debian.org/debian unstable/main arm64 python3-brotli arm64 1.1.0-2+b7 [300 kB] Get: 240 http://deb.debian.org/debian unstable/main arm64 python3-contourpy arm64 1.3.1-1+b1 [190 kB] Get: 241 http://deb.debian.org/debian unstable/main arm64 python3-cycler all 0.12.1-1 [9496 B] Get: 242 http://deb.debian.org/debian unstable/main arm64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 243 http://deb.debian.org/debian unstable/main arm64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 244 http://deb.debian.org/debian unstable/main arm64 python3.13-dev arm64 3.13.2-1 [505 kB] Get: 245 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.13.2-1 [26.1 kB] Get: 246 http://deb.debian.org/debian unstable/main arm64 python3-pytz all 2025.1-3 [150 kB] Get: 247 http://deb.debian.org/debian unstable/main arm64 python3-tz all 2025.1-3 [4004 B] Get: 248 http://deb.debian.org/debian unstable/main arm64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 249 http://deb.debian.org/debian unstable/main arm64 python3-fs all 2.4.16-6 [95.1 kB] Get: 250 http://deb.debian.org/debian unstable/main arm64 python3-lxml arm64 5.3.1-1+b1 [1139 kB] Get: 251 http://deb.debian.org/debian unstable/main arm64 python3-lz4 arm64 4.4.0+dfsg-1+b1 [25.6 kB] Get: 252 http://deb.debian.org/debian unstable/main arm64 python3-scipy arm64 1.14.1-4+b1 [15.8 MB] Get: 253 http://deb.debian.org/debian unstable/main arm64 python3-mpmath all 1.3.0-1 [419 kB] Get: 254 http://deb.debian.org/debian unstable/main arm64 python3-sympy all 1.13.3-5 [4148 kB] Get: 255 http://deb.debian.org/debian unstable/main arm64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 256 http://deb.debian.org/debian unstable/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b5 [298 kB] Get: 257 http://deb.debian.org/debian unstable/main arm64 unicode-data all 15.1.0-1 [8547 kB] Get: 258 http://deb.debian.org/debian unstable/main arm64 python3-fonttools arm64 4.55.3-2+b1 [1381 kB] Get: 259 http://deb.debian.org/debian unstable/main arm64 python3-h5py-serial arm64 3.13.0-1+b1 [953 kB] Get: 260 http://deb.debian.org/debian unstable/main arm64 python3-h5py all 3.13.0-1 [15.0 kB] Get: 261 http://deb.debian.org/debian unstable/main arm64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 262 http://deb.debian.org/debian unstable/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 263 http://deb.debian.org/debian unstable/main arm64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 264 http://deb.debian.org/debian unstable/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 265 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 266 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 267 http://deb.debian.org/debian unstable/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 268 http://deb.debian.org/debian unstable/main arm64 python3-kiwisolver arm64 1.4.7-3+b1 [57.8 kB] Get: 269 http://deb.debian.org/debian unstable/main arm64 python3-pil arm64 11.1.0-5+b1 [495 kB] Get: 270 http://deb.debian.org/debian unstable/main arm64 python3.12-tk arm64 3.12.9-1 [111 kB] Get: 271 http://deb.debian.org/debian unstable/main arm64 python3.13-tk arm64 3.13.2-1 [102 kB] Get: 272 http://deb.debian.org/debian unstable/main arm64 python3-tk arm64 3.13.1-1+b1 [9756 B] Get: 273 http://deb.debian.org/debian unstable/main arm64 python3-pil.imagetk arm64 11.1.0-5+b1 [81.8 kB] Get: 274 http://deb.debian.org/debian unstable/main arm64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 275 http://deb.debian.org/debian unstable/main arm64 python3-packaging all 24.2-1 [55.3 kB] Get: 276 http://deb.debian.org/debian unstable/main arm64 python3-matplotlib arm64 3.8.3-7+b1 [22.9 MB] Get: 277 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 278 http://deb.debian.org/debian unstable/main arm64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 279 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 75.8.0-1 [724 kB] Get: 280 http://deb.debian.org/debian unstable/main arm64 quilt all 0.68-1 [437 kB] Get: 281 http://deb.debian.org/debian unstable/main arm64 swig arm64 4.3.0-1 [1406 kB] Fetched 222 MB in 4s (57.7 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19892 files and directories currently installed.) Preparing to unpack .../libpython3.13-minimal_3.13.2-1_arm64.deb ... Unpacking libpython3.13-minimal:arm64 (3.13.2-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.4-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.4-1) ... 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Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-6) ... Selecting previously unselected package libpython3.13-stdlib:arm64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_arm64.deb ... Unpacking libpython3.13-stdlib:arm64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_arm64.deb ... Unpacking python3.13 (3.13.2-1) ... 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Setting up libzstd-dev:arm64 (1.5.6+dfsg-2) ... Setting up liblerc4:arm64 (4.0.0+ds-5) ... Setting up bsdextrautils (2.40.4-5) ... Setting up hdf5-helpers (1.14.5+repack-3) ... Setting up libgpg-error0:arm64 (1.51-3) ... Setting up libgslcblas0:arm64 (2.8+dfsg-5) ... Setting up libmagic-mgc (1:5.45-3+b1) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up architecture-properties:arm64 (0.2.6) ... Setting up fonts-lyx (2.4.3-1) ... Setting up libdebhelper-perl (13.24.1) ... Setting up libbrotli1:arm64 (1.1.0-2+b7) ... Setting up libedit2:arm64 (3.1-20250104-1) ... Setting up libmagic1t64:arm64 (1:5.45-3+b1) ... Setting up x11-common (1:7.7+24) ... invoke-rc.d: could not determine current runlevel Setting up X socket directories... /tmp/.X11-unix /tmp/.ICE-unix. Setting up libnghttp2-14:arm64 (1.64.0-1) ... Setting up libibumad3:arm64 (56.0-2) ... Setting up libdeflate0:arm64 (1.23-1+b1) ... Setting up libfftw3-long3:arm64 (3.3.10-2+b1) ... Setting up gettext-base (0.23.1-1) ... Setting up m4 (1.4.19-5) ... Setting up libevent-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up libgcrypt20:arm64 (1.11.0-7) ... Setting up libqhull-r8.0:arm64 (2020.2-6+b2) ... Setting up libibmad5:arm64 (56.0-2) ... Setting up libcom-err2:arm64 (1.47.2-1) ... Setting up file (1:5.45-3+b1) ... Setting up libjbig0:arm64 (2.1-6.1+b2) ... Setting up libaec0:arm64 (1.1.3-1+b1) ... Setting up libelf1t64:arm64 (0.192-4) ... Setting up libkrb5support0:arm64 (1.21.3-4) ... Setting up libsasl2-modules-db:arm64 (2.1.28+dfsg1-9) ... Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' Local time is now: Mon Mar 3 03:37:42 UTC 2025. Universal Time is now: Mon Mar 3 03:37:42 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:arm64 (4.13.3-1) ... Setting up libblas3:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode Setting up libunbound8:arm64 (1.22.0-1+b1) ... Setting up libpkgconf3:arm64 (1.8.1-4) ... Setting up libgmpxx4ldbl:arm64 (2:6.3.0+dfsg-3) ... Setting up libmunge2:arm64 (0.5.16-1) ... Setting up libexpat1-dev:arm64 (2.6.4-1) ... Setting up libjpeg62-turbo:arm64 (1:2.1.5-3.1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libjpeg62-turbo-dev:arm64 (1:2.1.5-3.1) ... Setting up ed (1.21-1) ... Setting up libncurses6:arm64 (6.5+20250216-1) ... Setting up liblzf1:arm64 (3.6-4+b3) ... Setting up libfribidi0:arm64 (1.0.16-1) ... Setting up diffstat (1.67-1) ... Setting up libimagequant0:arm64 (2.18.0-1+b2) ... Setting up comerr-dev:arm64 (2.1-1.47.2-1) ... Setting up libunistring5:arm64 (1.3-1) ... Setting up fonts-dejavu-mono (2.37-8) ... Setting up libssl-dev:arm64 (3.4.1-1) ... Setting up libpng16-16t64:arm64 (1.6.47-1) ... Setting up libhwloc15:arm64 (2.12.0-1) ... Setting up python3-numpy-dev:arm64 (1:2.2.3+ds-4) ... Setting up libtcl8.6:arm64 (8.6.16+dfsg-1) ... Setting up autopoint (0.23.1-1) ... Setting up fonts-dejavu-core (2.37-8) ... Setting up pkgconf-bin (1.8.1-4) ... Setting up libk5crypto3:arm64 (1.21.3-4) ... Setting up libgc1:arm64 (1:8.2.8-1) ... Setting up libltdl7:arm64 (2.5.4-3) ... Setting up libfftw3-double3:arm64 (3.3.10-2+b1) ... Setting up libsasl2-2:arm64 (2.1.28+dfsg1-9) ... Setting up libgfortran5:arm64 (14.2.0-17) ... Setting up autoconf (2.72-3) ... Setting up libnghttp3-9:arm64 (1.8.0-1) ... Setting up libwebp7:arm64 (1.5.0-0.1) ... Setting up libnghttp3-dev:arm64 (1.8.0-1) ... Setting up zlib1g-dev:arm64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libffi8:arm64 (3.4.7-1) ... Setting up libnuma1:arm64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:arm64 (2.3.2-1+b2) ... Setting up libtiff6:arm64 (4.5.1+git230720-5) ... Setting up libuchardet0:arm64 (0.0.8-1+b2) ... Setting up libnl-3-200:arm64 (3.7.0-0.3+b1) ... Setting up libtasn1-6:arm64 (4.20.0-2) ... Setting up libopenjp2-7:arm64 (2.5.3-1) ... Setting up libx11-6:arm64 (2:1.8.10-2) ... Setting up netbase (6.4) ... Setting up libkrb5-3:arm64 (1.21.3-4) ... Setting up libevent-core-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up libssh2-1t64:arm64 (1.11.1-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libgsl28:arm64 (2.8+dfsg-5) ... Setting up python-matplotlib-data (3.8.3-7) ... Setting up libgc-dev:arm64 (1:8.2.8-1) ... Setting up libtasn1-6-dev:arm64 (4.20.0-2) ... Setting up libwebpmux3:arm64 (1.5.0-0.1) ... Setting up libgdsii0:arm64 (0.2+ds.1-1+b2) ... Setting up libdrm-common (2.4.124-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.2+b2) ... Setting up libldap2:arm64 (2.6.9+dfsg-1) ... Setting up libbrotli-dev:arm64 (1.1.0-2+b7) ... Setting up chrpath (0.18-1) ... Setting up libblas-dev:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode Setting up libsz2:arm64 (1.1.3-1+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:arm64 (14.2.0-17) ... Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... Setting up liblapack3:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libncurses-dev:arm64 (6.5+20250216-1) ... Setting up gettext (0.23.1-1) ... Setting up libgsl-dev (2.8+dfsg-5) ... Setting up libgmp-dev:arm64 (2:6.3.0+dfsg-3) ... Setting up nettle-dev:arm64 (3.10.1-1) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b4) ... Setting up libtool (2.5.4-3) ... Setting up libfftw3-bin (3.3.10-2+b1) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-2) ... Setting up libgdsii-dev:arm64 (0.2+ds.1-1+b2) ... Setting up libwebpdemux2:arm64 (1.5.0-0.1) ... Setting up libaec-dev:arm64 (1.1.3-1+b1) ... Setting up libjpeg-dev:arm64 (1:2.1.5-3.1) ... Setting up libxext6:arm64 (2:1.3.4-1+b3) ... Setting up quilt (0.68-1) ... Setting up libidn2-0:arm64 (2.3.7-2+b1) ... Setting up pkgconf:arm64 (1.8.1-4) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:arm64 (535.171.04-1+b2) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:arm64 (2.5.4-3) ... Setting up libglib2.0-0t64:arm64 (2.83.5-1) ... No schema files found: doing nothing. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:arm64 (1:17.0.6-21) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up libldap-dev:arm64 (2.6.9+dfsg-1) ... Setting up libp11-kit0:arm64 (0.25.5-3) ... Setting up liblapack-dev:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:arm64 (1.21.3-4) ... Setting up libssh2-1-dev:arm64 (1.11.1-1) ... Setting up libidn2-dev:arm64 (2.3.7-2+b1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libharminv3 (1.4.2-1+b1) ... Setting up libreadline8t64:arm64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:arm64 (2.4.124-1) ... Setting up groff-base (1.23.0-7) ... Setting up gfortran-14-aarch64-linux-gnu (14.2.0-17) ... Setting up libxslt1.1:arm64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:arm64 (10.2.0-1) ... Setting up gfortran-aarch64-linux-gnu (4:14.2.0-1) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:arm64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:arm64 (2.15.0-2) ... Setting up gfortran-14 (14.2.0-17) ... Setting up libharminv-dev (1.4.2-1+b1) ... Setting up libpython3.13-stdlib:arm64 (3.13.2-1) ... Setting up libfftw3-dev:arm64 (3.3.10-2+b1) ... Setting up libp11-kit-dev:arm64 (0.25.5-3) ... Setting up libpython3-stdlib:arm64 (3.13.2-1) ... Setting up liblbfgsb0:arm64 (3.0+dfsg.4-1+b2) ... Setting up libdrm-amdgpu1:arm64 (2.4.124-1) ... Setting up libpython3.13:arm64 (3.13.2-1) ... Setting up libgnutls30t64:arm64 (3.8.9-2) ... Setting up libgnutls-openssl27t64:arm64 (3.8.9-2) ... Setting up libnghttp2-dev:arm64 (1.64.0-1) ... Setting up libibverbs1:arm64 (56.0-2) ... Setting up libxft2:arm64 (2.3.6-1+b4) ... Setting up ibverbs-providers:arm64 (56.0-2) ... Setting up python3.13 (3.13.2-1) ... Setting up guile-3.0-libs:arm64 (3.0.10+really3.0.10-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:arm64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up libpsl5t64:arm64 (0.21.2-1.1+b1) ... Setting up libctl7t64:arm64 (4.5.1-3) ... Setting up python3 (3.13.2-1) ... Setting up libreadline-dev:arm64 (8.2-6) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:arm64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.2-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up libpsl-dev:arm64 (0.21.2-1.1+b1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up libgnutls-dane0t64:arm64 (3.8.9-2) ... Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libgssrpc4t64:arm64 (1.21.3-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:arm64 (0.10.2-1) ... Setting up libpython3.13-dev:arm64 (3.13.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libpmix2t64:arm64 (5.0.6-3) ... Setting up python3-numpy (1:2.2.3+ds-4) ... Setting up python3-lxml:arm64 (5.3.1-1+b1) ... Setting up librdmacm1t64:arm64 (56.0-2) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up guile-3.0 (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:arm64 (6.2.4+ds-1) ... Setting up libkadm5clnt-mit12:arm64 (1.21.3-4) ... Setting up libgnutls28-dev:arm64 (3.8.9-2) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up libfabric1:arm64 (1.17.0-3.1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7+b1) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up libpython3-dev:arm64 (3.13.2-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up libcurl4t64:arm64 (8.12.1-3) ... Setting up libkdb5-10t64:arm64 (1.21.3-4) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3.13-dev (3.13.2-1) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b5) ... Setting up blt (2.5.3+dfsg-7+b1) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-tk:arm64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:arm64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:arm64 (11.1.0-5+b1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.13.2-1) ... Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libhdf5-310:arm64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:arm64 (6.1.2-3) ... Setting up libkadm5srv-mit12:arm64 (1.21.3-4) ... Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-fortran-310:arm64 (1.14.5+repack-3) ... Setting up krb5-multidev:arm64 (1.21.3-4) ... Setting up libhdf5-cpp-310:arm64 (1.14.5+repack-3) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up libhdf5-hl-310:arm64 (1.14.5+repack-3) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up libctl-dev:arm64 (4.5.1-3) ... Setting up libkrb5-dev:arm64 (1.21.3-4) ... Setting up libamdhip64-5 (5.7.1-5+b1) ... Setting up libcurl4-openssl-dev:arm64 (8.12.1-3) ... Setting up python3-h5py (3.13.0-1) ... Setting up libhdf5-hl-cpp-310:arm64 (1.14.5+repack-3) ... Setting up libhdf5-hl-fortran-310:arm64 (1.14.5+repack-3) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libhdf5-dev (1.14.5+repack-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libopenmpi40:arm64 (5.0.7-1) ... Setting up libhdf5-openmpi-310:arm64 (1.14.5+repack-3) ... Setting up mpb (1.11.1-6+b2) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Processing triggers for libc-bin (2.41-3) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for unstable I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:236: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "arm64" = "i386" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether sleep supports fractional seconds... yes checking filesystem timestamp resolution... 0.01 checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking xargs -n works... yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether aarch64-linux-gnu-gcc accepts -g... yes checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of aarch64-linux-gnu-gcc... none checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether aarch64-linux-gnu-g++ accepts -g... yes checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of aarch64-linux-gnu-g++... none checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... aarch64-unknown-linux-gnu checking host system type... aarch64-unknown-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert aarch64-unknown-linux-gnu file names to aarch64-unknown-linux-gnu format... func_convert_file_noop checking how to convert aarch64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for file... file checking for aarch64-linux-gnu-objdump... aarch64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for aarch64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for aarch64-linux-gnu-ranlib... aarch64-linux-gnu-ranlib checking for aarch64-linux-gnu-ar... aarch64-linux-gnu-ar checking for archiver @FILE support... @ checking for aarch64-linux-gnu-strip... aarch64-linux-gnu-strip checking command to parse /usr/bin/aarch64-linux-gnu-nm -B output from aarch64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for aarch64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if aarch64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for aarch64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-gcc static flag -static works... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... 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(cached) yes checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for aarch64-linux-gnu-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... 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(cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python3... /usr/bin/python3 checking for python version... 3.13 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.13/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.13/site-packages checking for Python include directory... /usr/include/python3.13 checking for Python.h... yes checking for Numpy include directory... /usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build make -j12 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' /bin/sh ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 /bin/sh ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g 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timing_scope working_on; | ^~~~~~~~~~ meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] 1744 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:32:1: warning: when initialized here [-Wreorder] 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, | ^~~~~~ meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] 1506 | double beta; | ^~~~ meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] 1505 | std::vector bfast_scaled_k; | ^~~~~~~~~~~~~~ fields.cpp:242:1: warning: when initialized here [-Wreorder] 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, | ^~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time 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>/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o material_data.lo material_data.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time 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-D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o near2far.lo near2far.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step.lo step.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 81 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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.libs/structure_dump.o /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o time.lo time.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); | ^~ step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); | ^~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp /bin/sh ../libtool --tag=CXX --mode=compile 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall 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-mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; | ^~~ step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; | ^~~ step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a") libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 817 (offset 66 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36083 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36148 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36209 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare] 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1644: Warning 362: operator= ignored ../src/meep.hpp:1644: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.29.0'" >> __init__.py if [[ "4.3.0" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.3.0" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7530 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7532 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7576 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter] 7577 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7590 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter] 25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter] 126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter] 126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter] 126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter] 126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter] 126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter] 126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter] 126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' echo arm64 arm64 if [ "arm64" = "armel" ] || \ [ "arm64" = "riscv64" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 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cylindrical.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o cylindrical cylindrical.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-slice-ll array-slice-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-slice-ll array-slice-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o user-defined-material.o user-defined-material.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/user-defined-material user-defined-material.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py FAIL: tests/test_mode_decomposition.py FAIL: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py FAIL: tests/test_pml_cyl.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_verbosity_mgr.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 63 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log for debugging. ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: *** [Makefile:1254: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: *** [Makefile:1318: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: *** [Makefile:1320: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . ./meep.pc ./libtool ./stamp-h1 ./config.h ./meep-pkgconfig ./Makefile ./config.status ./config.log ./test-driver ./depcomp 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./python/tests/test_multilevel_atom.py ./python/tests/test_mpb.py ./python/tests/test_mode_decomposition.py ./python/tests/test_mode_coeffs.py ./python/tests/test_medium_evaluations.py ./python/tests/test_materials_library.py ./python/tests/test_material_grid.py ./python/tests/test_material_dispersion.py ./python/tests/test_ldos.py ./python/tests/test_kdom.py ./python/tests/test_integrated_source.py ./python/tests/test_holey_wvg_cavity.py ./python/tests/test_holey_wvg_bands.py ./python/tests/test_get_point.py ./python/tests/test_get_epsilon_grid.py ./python/tests/test_geom.py ./python/tests/test_gaussianbeam.py ./python/tests/test_fragment_stats.py ./python/tests/test_force.py ./python/tests/test_field_functions.py ./python/tests/test_faraday_rotation.py ./python/tests/test_eigfreq.py ./python/tests/test_dump_load.py ./python/tests/test_divide_mpi_processes.py ./python/tests/test_dispersive_eigenmode.py ./python/tests/test_diffracted_planewave.py ./python/tests/test_dft_fields.py 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./python/tests/data/line-defect-e.k04.b12.z.tm.h5 ./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 ./python/tests/data/eps_input_file_test.h5 ./python/tests/data/diamond-dpwr.k06.b05.h5 ./python/tests/data/convex_prism_vertices.npz ./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 ./python/tests/data/cavity_arrayslice_2d.npy ./python/tests/data/cavity_arrayslice_1d.npy ./python/tests/data/cavity-farfield.h5 ./python/tests/data/cavity-farfield-4-freqs.h5 ./python/tests/data/bragg-h.k01.b08.y.tm.h5 ./python/tests/data/bend-flux.gds ./python/tests/data/amp_func_file.h5 ./python/source.py ./python/solver.py ./python/simulation.py ./python/requirements.txt ./python/numpy.i ./python/mpb_data.py ./python/mpb.i ./python/meep.i ./python/meep-python.hpp ./python/materials.py ./python/geom.py ./python/examples ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_tri_holes.cpython-313.pyc ./python/examples/__pycache__/mpb_strip.cpython-313.pyc ./python/examples/__pycache__/mpb_sq_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_line_defect.cpython-313.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-313.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-313.pyc ./python/examples/__pycache__/mpb_diamond.cpython-313.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-313.pyc ./python/examples/__pycache__/mpb_bragg.cpython-313.pyc ./python/examples/zone_plate.py ./python/examples/zone_plate.ipynb ./python/examples/wvg-src.py ./python/examples/waveguide_crossing.py ./python/examples/straight-waveguide.py ./python/examples/straight-waveguide.ipynb ./python/examples/stochastic_emitter_reciprocity.py ./python/examples/stochastic_emitter_line.py ./python/examples/stochastic_emitter.py ./python/examples/stochastic_emitter.ipynb ./python/examples/solve-cw.py ./python/examples/solve-cw.ipynb ./python/examples/ring_gds.py ./python/examples/ring.py ./python/examples/ring.ipynb ./python/examples/ring-mode-overlap.py ./python/examples/ring-cyl.py ./python/examples/refl_angular_bfast.ipynb ./python/examples/refl-quartz.py ./python/examples/refl-quartz.ipynb ./python/examples/refl-angular.py ./python/examples/refl-angular.ipynb ./python/examples/refl-angular-kz2d.py ./python/examples/pw-source.py ./python/examples/polarization_grating.py ./python/examples/polarization_grating.ipynb ./python/examples/point_dipole_cyl.py ./python/examples/planar_cavity_ldos.py ./python/examples/phase_in_material.py ./python/examples/perturbation_theory_2d.py ./python/examples/perturbation_theory.py ./python/examples/perturbation_theory.ipynb ./python/examples/parallel-wvgs-mpb.py ./python/examples/parallel-wvgs-force.py ./python/examples/parallel-wvgs-force.ipynb ./python/examples/oblique-source.py ./python/examples/oblique-source.ipynb ./python/examples/oblique-planewave.py ./python/examples/oblique-planewave.ipynb ./python/examples/multilevel-atom.py ./python/examples/mpb_tutorial.py ./python/examples/mpb_tri_rods.py ./python/examples/mpb_tri_holes.py ./python/examples/mpb_strip.py ./python/examples/mpb_sq_rods.py ./python/examples/mpb_line_defect.py ./python/examples/mpb_honey_rods.py ./python/examples/mpb_hole_slab.py ./python/examples/mpb_diamond.py ./python/examples/mpb_data_analysis.py ./python/examples/mpb_bragg_sine.py ./python/examples/mpb_bragg.py ./python/examples/mode_coeff_phase.py ./python/examples/mode-decomposition.py ./python/examples/mode-decomposition.ipynb ./python/examples/mie_scattering.py ./python/examples/mie_scattering.ipynb ./python/examples/metasurface_lens.py ./python/examples/metasurface_lens.ipynb ./python/examples/metal-cavity-ldos.py ./python/examples/metal-cavity-ldos.ipynb ./python/examples/media ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/visualization_normalize.mp4 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./python/examples/grating2d_triangular_lattice.py ./python/examples/gaussian-beam.py ./python/examples/finite_grating.py ./python/examples/finite_grating.ipynb ./python/examples/faraday-rotation.py ./python/examples/extraction_eff_ldos.py ./python/examples/eps_fit_lorentzian.py ./python/examples/disc_radiation_pattern.py ./python/examples/disc_extraction_efficiency.py ./python/examples/diffracted_planewave.py ./python/examples/differential_cross_section.py ./python/examples/differential_cross_section.ipynb ./python/examples/cylinder_cross_section.py ./python/examples/cylinder_cross_section.ipynb ./python/examples/cyl-ellipsoid.py ./python/examples/coupler.py ./python/examples/coupler.ipynb ./python/examples/coupler.gds ./python/examples/chirped_pulse.py ./python/examples/cherenkov-radiation.py ./python/examples/cavity_arrayslice.py ./python/examples/cavity-farfield.py ./python/examples/cavity-farfield.ipynb ./python/examples/binary_grating_phasemap.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/binary_grating_oblique.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/binary_grating_n2f.py ./python/examples/binary_grating_n2f.ipynb ./python/examples/binary_grating.py ./python/examples/binary_grating.ipynb ./python/examples/bent-waveguide.py ./python/examples/bent-waveguide.ipynb ./python/examples/bend-flux.py ./python/examples/bend-flux.ipynb ./python/examples/antenna_pec_ground_plane.py ./python/examples/antenna-radiation.py ./python/examples/antenna-radiation.ipynb ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/mode_converter.py ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/adjoint_optimization/07-Connectivity-Constraint.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/absorber-1d.py ./python/examples/absorbed_power_density.py ./python/examples/absorbed_power_density.ipynb ./python/examples/README.md ./python/examples/3rd-harm-1d.py ./python/examples/3rd-harm-1d.ipynb ./python/chunk_balancer.py ./python/binary_partition_utils.py ./python/adjoint ./python/adjoint/__pycache__ ./python/adjoint/__pycache__/optimization_problem.cpython-313.pyc ./python/adjoint/__pycache__/basis.cpython-313.pyc ./python/adjoint/__pycache__/utils.cpython-313.pyc ./python/adjoint/__pycache__/filter_source.cpython-313.pyc ./python/adjoint/__pycache__/objective.cpython-313.pyc ./python/adjoint/__pycache__/__init__.cpython-313.pyc ./python/adjoint/wrapper.py ./python/adjoint/utils.py ./python/adjoint/unfilter_design.py ./python/adjoint/optimization_problem.py ./python/adjoint/objective.py ./python/adjoint/filters.py ./python/adjoint/filter_source.py ./python/adjoint/connectivity.py ./python/adjoint/basis.py ./python/adjoint/__init__.py ./python/Makefile.am ./monkeytype.sqlite3 ./mkdocs.yml ./meep-pkgconfig.in ./m4 ./m4/lt~obsolete.m4 ./m4/ltversion.m4 ./m4/ltsugar.m4 ./m4/ltoptions.m4 ./m4/libtool.m4 ./m4/pkg.m4 ./m4/ax_openmp.m4 ./m4/ax_mpi.m4 ./m4/ax_lapack.m4 ./m4/ax_gcc_x86_cpuid.m4 ./m4/ax_gcc_archflag.m4 ./m4/ax_cxx_maxopt.m4 ./m4/ax_cxx_compile_stdcxx.m4 ./m4/ax_compiler_vendor.m4 ./m4/ax_check_compiler_flags.m4 ./m4/ax_blas.m4 ./libpympb ./libpympb/libpympb.la ./libpympb/libpympb_la-pympb.lo ./libpympb/libpympb_la-pympb.o ./libpympb/.libs ./libpympb/.libs/libpympb.la ./libpympb/.libs/libpympb.lai ./libpympb/.libs/libpympb.a ./libpympb/.libs/libpympb.so ./libpympb/.libs/libpympb.so.33 ./libpympb/.libs/libpympb.so.33.0.0 ./libpympb/.libs/libpympb_la-pympb.o ./libpympb/Makefile ./libpympb/Makefile.in ./libpympb/pympb.hpp ./libpympb/pympb.cpp ./libpympb/Makefile.am ./index.md ./doc ./doc/requirements.txt ./doc/meep-logos.svg ./doc/generate_py_api.py ./doc/docs ./doc/docs/setup.py ./doc/docs/mdx_math.py ./doc/docs/mathjaxhelper.js ./doc/docs/index.md ./doc/docs/images ./doc/docs/images/zone_plate_schematic.png ./doc/docs/images/zone_plate_farfield.png ./doc/docs/images/waveguide_rotation_glancing_small.png ./doc/docs/images/waveguide_rotation_glancing.png ./doc/docs/images/waveguide-taper.png ./doc/docs/images/triangular_lattice.png ./doc/docs/images/swig_process.png ./doc/docs/images/subpixel_smoothing.png ./doc/docs/images/stochastic_emitter_trials.png ./doc/docs/images/stochastic_emitter_normalized_flux_comparison.png ./doc/docs/images/stochastic_emitter_line_normalized_flux_comparison.png ./doc/docs/images/stochastic_emitter_forward_vs_backward_flux_spectrum.png 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======================================== meep 1.29.0: python/test-suite.log ======================================== # TOTAL: 63 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # XPASS: 0 # ERROR: 0 System information (uname -a): Linux 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" VERSION_CODENAME=trixie ID=debian HOME_URL="https://www.debian.org/" SUPPORT_URL="https://www.debian.org/support" BUG_REPORT_URL="https://bugs.debian.org/" .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-c1d1taue because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.9629 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ojegosnn because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.9092 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-skh93lu0 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8619 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-fq95auni because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0031 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ifjmfpo8 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0214 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-fu5eo5eo because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.4631 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-fmx_a5zt because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.5691 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-g4sn3q98 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meep4PaIBY/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.017394304275512695 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.0754972925257 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.71668476265345 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969451 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595333 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.959975852113978 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209034 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450969029 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484471 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680404 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288519 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595164 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.836629069249995 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523808513 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477653 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347097 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531635 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026496 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416989 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360675 (0.00776977% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8320745163302404 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.832051317003098 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035315 (0.00161738% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8320296693273964 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100094 (0.000507233% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8320231011390418 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827396 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241119 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596325 (5.87322e-05% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068470011 (1.37853e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439100389 (7.56436e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056776415 (4.59513e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829980432 (2.72585e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8320200693466452 (1.64075e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8320200636019381 (6.90453e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200604494776 (3.78892e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8320200588885164 (1.87611e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360128 (1.02462e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8320200576147273 (5.0634e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061474 (2.50691e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926048 (1.36466e-08% change) linmin: converged after 9 iterations. iteration 43: trace = 0.8320200572315926 (7.33302e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 0.832020057198161 (4.01812e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 0.8320200571762048 (2.6389e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571626069 (1.63432e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 0.8320200571545783 (9.6495e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.832020057150025 (5.47252e-10% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8320200571472434 (3.34327e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8320200571454062 (2.20812e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444556 (1.14249e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.8076879978179932 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073604645 (1.48851% change) linmin: converged after 8 iterations. iteration 2: trace = 0.8364158268943164 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576195202 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413734591 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867263736 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392492346 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193318883 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498477346 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497984 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965296 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.830620418876548 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030515 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818109 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313113 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462613 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791168 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841161 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123353 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8305320916748304 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893665 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056104 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924483 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092475 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197319 (1.43155e-06% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8305318965921982 (9.18391e-07% change) linmin: converged after 10 iterations. iteration 28: trace = 0.8305318905535406 (7.27083e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8305318875553995 (3.6099e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8305318858786155 (2.01893e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8305318849630696 (1.10236e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8305318845533121 (4.93368e-08% change) linmin: converged after 12 iterations. iteration 33: trace = 0.830531884211193 (4.11928e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 0.8305318840358398 (2.11134e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8305318839403582 (1.14964e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001288 (4.84381e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.830531883874691 (3.06283e-09% change) linmin: converged after 24 iterations. iteration 38: trace = 0.8305318838577096 (2.04464e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8305318838472706 (1.2569e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8305318838419788 (6.37154e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8305318838394073 (3.09621e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374599 (2.34481e-10% change) linmin: converged after 19 iterations. iteration 43: trace = 0.8305318838359887 (1.77134e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8305318838350271 (1.1579e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.9725468158721924 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.836315860096732 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083083036 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664916265 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918498211 (0.119613% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8311832900375034 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394277228 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416617015291 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132794689 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.830078155996353 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450119853 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209971111 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236592101 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420167275 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420545 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940895 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334526 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859865059 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864059029 (0.000144541% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8299250658247074 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651557 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997404 (3.22397e-05% change) linmin: converged after 7 iterations. iteration 22: trace = 0.8299242050799038 (2.08236e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8299241006170228 (1.2587e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8299240288709508 (8.6449e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857346447 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673498 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095053 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.829923948679026 (2.53367e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8299239474471369 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745021 (8.10478e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912059 (5.82338e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822325 (2.51798e-08% change) linmin: converged after 24 iterations. iteration 34: trace = 0.829923945946898 (1.63069e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8299239458765898 (8.47164e-09% change) linmin: converged after 10 iterations. iteration 36: trace = 0.8299239458198523 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895662 (3.64926e-09% change) linmin: converged after 22 iterations. iteration 38: trace = 0.8299239457730856 (1.9858e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8299239457622447 (1.30625e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8299239457533909 (1.06682e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488158 (5.5127e-10% change) linmin: converged after 16 iterations. iteration 42: trace = 0.8299239457466069 (2.66157e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.829923945745775 (1.00237e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.9551987648010254 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 0.8384579710388014 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464145161 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.834959121441012 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527435092523 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082200197433 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396589363 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310521766 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777609253 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352392206 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540975082 (0.0268094% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8284802607009891 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573579545 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444947822 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330460465 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017531329 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079890141 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480627425 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045906595 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184112278 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842839 (0.000129428% change) linmin: converged after 5 iterations. iteration 21: trace = 0.828281645933129 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972929 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722307 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635218542 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507751 (6.69713e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.8282808797258102 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907819 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640518 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579532 (7.37201e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817429 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851823 (2.53122e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8282808424976488 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243391 (8.129e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8282808413684856 (5.50361e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411400967 (2.75738e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003623 (1.68704e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003344 (1.20766e-08% change) linmin: converged after 27 iterations. iteration 38: trace = 0.8282808408204201 (9.64821e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 0.8282808407815183 (4.69669e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8282808407436563 (4.57116e-09% change) linmin: converged after 25 iterations. iteration 41: trace = 0.8282808407148372 (3.47938e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8282808406920066 (2.75639e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8282808406803972 (1.40162e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8282808406737886 (7.9787e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704848 (3.98875e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8282808406687536 (2.09008e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678077 (1.14202e-10% change) linmin: converged after 7 iterations. iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.997908353805542 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8297766891059705 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.827126168465749 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084558966 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488845111 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828484377 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591652833 (0.108572% change) linmin: converged after 4 iterations. iteration 7: trace = 0.820078298876689 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796821 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501104 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872421 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404152 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298469 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611317 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377121 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623278 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744636 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397359 (7.87889e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8195750259742762 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466735 (2.18773e-05% change) linmin: converged after 9 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048916 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680514 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620211 (2.88028e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8195746392254357 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.819574632834841 (7.79745e-07% change) linmin: converged after 13 iterations. iteration 26: trace = 0.8195746295494708 (4.00863e-07% change) linmin: converged after 13 iterations. iteration 27: trace = 0.819574628150171 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400561 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8195746268100966 (5.24613e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 27 iterations. iteration 31: trace = 0.8195746264084736 (1.34679e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8195746263156771 (1.13225e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8195746262714612 (5.39499e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8195746262510966 (2.48478e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8195746262406717 (1.27199e-09% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8195746262340665 (8.05925e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8195746262311596 (3.54684e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8195746262301503 (1.2315e-10% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.9102613925933838 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200576 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160189 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.817535559432626 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027530945 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327872 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218415 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190388 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418098 (0.00742647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.8153020394554229 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.815283053454816 (0.00232873% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327975205 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638716 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044378041 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738826 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303295448 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119256 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059346907 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120827 (1.73837e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8152593920835759 (8.84731e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8152593577039601 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.8152593247016575 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087741 (9.06814e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254385 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736239 (8.96844e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092122 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493351 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911446 (7.13768e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576598 (4.10725e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456172 (1.47715e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8152593107377903 (9.60044e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 0.8152593107338376 (4.84843e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317028 (2.61861e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306813 (1.253e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.6213304996490479 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867726 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691136 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603212 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631838 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.811240168559422 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067773 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.810403371041347 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405788 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866164 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843558 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.810119052953955 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189366 (0.000599572% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8101112551273706 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752458 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151843 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261185 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543416 (5.14029e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101088443461921 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233451 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653663 (6.36702e-07% change) linmin: converged after 17 iterations. iteration 24: trace = 0.8101088257061436 (3.77631e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8101088238653266 (2.27231e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.810108822665528 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101088219921038 (8.31276e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.810108821643532 (4.30278e-08% change) linmin: converged after 29 iterations. iteration 29: trace = 0.8101088214253349 (2.69343e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419808 (1.02892e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8101088213102635 (3.91519e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925482 (2.18678e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18075e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101088212792966 (4.55034e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770255 (2.80342e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.810108821275652 (1.69554e-10% change) linmin: converged after 10 iterations. iteration 37: trace = 0.8101088212748289 (1.01606e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.8420512676239014 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.809273371128195 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969773834 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378826 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.80405922806096 (0.158299% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8034666835426599 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766844055 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577331 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265977 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041492 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698028 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733460006 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323354 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539712 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051782 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207151 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213437 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655311 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738792 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936692 (2.14008e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027830866479162 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597423 (8.58037e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027830760515255 (4.6192e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8027830736191423 (3.02994e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8027830724307873 (1.48029e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8027830717575404 (8.38641e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079984 (3.10846e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027830713939041 (1.42123e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270425 (8.32873e-09% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8027830712989859 (3.49493e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8027830712879676 (1.37251e-09% change) linmin: converged after 16 iterations. iteration 32: trace = 0.8027830712796187 (1.03999e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027830712735203 (7.5965e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713143 (2.74796e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 0.8027830712698051 (1.88001e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.802783071268766 (1.29432e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.8893437385559082 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225889665 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588193017 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136604009 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599602 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356252627 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650826 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415049023 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775591 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785131 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407273 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526511 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914457 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.802723880114383 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985967 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384169 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701804 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596907 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591477 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781748 (1.27419e-05% change) linmin: converged after 10 iterations. iteration 21: trace = 0.8027157420448225 (8.07675e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.802715709343627 (4.07382e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027156963901343 (1.61371e-06% change) linmin: converged after 25 iterations. iteration 24: trace = 0.8027156897719367 (8.24476e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140796 (3.43566e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301956 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538376 (8.42587e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766868 (5.94421e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251561 (3.1335e-08% change) linmin: converged after 31 iterations. iteration 30: trace = 0.8027156839051044 (1.49557e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537041 (6.4033e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8027156838186872 (4.3623e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027156837999538 (2.33375e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027156837942571 (7.09688e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8027156837904597 (4.7307e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880036 (3.05966e-10% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8027156837870213 (1.22375e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.8907124996185303 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376424663 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522734583 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935541981 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331426072 (0.0883945% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8121871670633984 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023583824 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115438246 (0.0223593% change) linmin: converged after 6 iterations. iteration 8: trace = 0.8114739977375731 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011440841 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750803738 (0.0086925% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8112504355246271 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.811211066717463 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254010386 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668564 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100662 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.811135444413941 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057794 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.811130187145684 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274589 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631691 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725712 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812008 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 12 iterations. iteration 25: trace = 0.8111284433478234 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032065 (2.60681e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8111284113560745 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317195 (1.05093e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8111283987915656 (4.98091e-07% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8111283967889734 (2.4689e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216915 (1.56237e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8111283948185323 (8.6689e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321676 (3.53045e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54754e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8111283943165297 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752676 (5.087e-09% change) linmin: converged after 19 iterations. iteration 37: trace = 0.8111283942632421 (1.48256e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8111283942557568 (9.22831e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508334 (6.06981e-10% change) linmin: converged after 9 iterations. iteration 40: trace = 0.8111283942481876 (3.26184e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.81112839424681 (1.69833e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.8457887172698975 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269388784 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264785751 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782205577 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629050859 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222377366 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425306505 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507147034 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802290914 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695681614 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191293649 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287664798 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982981481 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353236169 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211861539 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771359951 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953726388 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570081135 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360021227 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855888374 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002107381 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428578 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292462 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947635 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325353 (0.000280372% change) linmin: converged after 5 iterations. iteration 25: trace = 0.8190737905148722 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885719623 (9.79086e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8190726416048181 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469992 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634326225 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223059518 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.819072293636266 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506965 (1.67086e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8190722717209697 (1.00476e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8190722641678607 (9.22154e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175918 (8.85181e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.819072252398658 (5.51714e-07% change) linmin: converged after 18 iterations. iteration 37: trace = 0.8190722470126064 (6.5758e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8190722404773362 (7.97887e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8190722358112694 (5.69677e-07% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8190722327134291 (3.78213e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8190722304560935 (2.75597e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8190722291582522 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638675 (1.21404e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599085 (7.3737e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229317 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693935 (1.87454e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8190722271071573 (7.59838e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 0.8190722270707893 (4.44015e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 0.8190722270585126 (1.49886e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528337 (6.93333e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495949 (3.95416e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 0.8190722270481852 (1.72117e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.9574985504150391 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245698361 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458231727 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751639439 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821756009 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841822318 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348964213 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055704764 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668394681 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147394906 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758573285 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572238918 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963024 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523688 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495611096 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314704 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708989 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580024 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585416 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828419 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.809011746549078 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733304 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133518 (2.08847e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8090112032213227 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767121 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273182 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871478 (1.4759e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8090111299481263 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 17 iterations. iteration 29: trace = 0.8090111190077983 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067402 (3.70954e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715618 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.809011112840562 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538603 (6.01601e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8090111120761603 (3.43259e-08% change) linmin: converged after 25 iterations. iteration 35: trace = 0.809011111827572 (3.07274e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8090111117288276 (1.22056e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8090111116923977 (4.50301e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.8090111116668663 (3.15587e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513794 (1.91431e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 0.8090111116440928 (9.00682e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401751 (4.84251e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 0.8090111116384469 (2.13629e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376205 (1.02142e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.8109111785888672 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170997577 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.813918027365284 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308008992 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.811581624060812 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900603 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344327 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147203 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831392 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515994 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.810120944553498 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717293 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865769 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483941 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435778 (5.98732e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8101016896360236 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8101015104593604 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 0.8101014766732865 (1.22544e-06% change) linmin: converged after 24 iterations. iteration 21: trace = 0.8101014719162717 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525338 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412485 (1.74211e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8101014671897425 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458735 (6.71359e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 0.810101466366896 (3.44374e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101014662654042 (1.25283e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8101014662094285 (6.90972e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8101014661850829 (3.00524e-09% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8101014661721252 (1.59952e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8101014661683199 (4.6973e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663739 (2.40217e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8101014661650519 (1.63196e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.7347114086151123 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898748622 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911066918 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232300615 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100831 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232385 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608253194 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495266317 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265357116 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616859 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828725 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464112 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823384 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.824928537065068 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087202 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8249097450566565 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163063 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750686 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447531 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869494 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706885 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280831 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8249014886144899 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.82490148538737 (3.91213e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8249014836509996 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636327 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.824901482377576 (4.68003e-08% change) linmin: converged after 26 iterations. iteration 31: trace = 0.8249014822007916 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8249014820905052 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217433 (8.33577e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8249014819930203 (3.48199e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693666 (2.86745e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.824901481953957 (1.86806e-09% change) linmin: converged after 22 iterations. iteration 37: trace = 0.8249014819460342 (9.60451e-10% change) linmin: converged after 16 iterations. iteration 38: trace = 0.8249014819420621 (4.81517e-10% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8249014819395273 (3.07293e-10% change) linmin: converged after 18 iterations. iteration 40: trace = 0.8249014819380525 (1.78787e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.9053096771240234 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504579561 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126034128 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510825 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.833504242190635 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937664944 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220793 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409875 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420806 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716755 (0.0169034% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8294292605779823 (0.00896136% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.829375645803089 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786946 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962761 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035651 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723064 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722002 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222393 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560098 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100369 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795791 (3.76561e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.829359881782837 (1.97704e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8293598714059198 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872598 (7.01584e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8293598628133533 (3.34464e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8293598612781719 (1.85104e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8293598604061101 (1.05149e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8293598600266698 (4.5751e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 0.8293598598808711 (1.75797e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.829359859814782 (7.96869e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813747 (4.02808e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669902 (1.73441e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8293598597619849 (6.03517e-10% change) linmin: converged after 16 iterations. iteration 35: trace = 0.8293598597589518 (3.65719e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 0.829359859757155 (2.16647e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8293598597560852 (1.28992e-10% change) linmin: converged after 20 iterations. iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.7676692008972168 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244309446 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022329321 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479197274 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.836466267239855 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.834672354538319 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568479985 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065781603 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793123081 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396173 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982053 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237597 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855995 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853662 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258969 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047006 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606004 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344797 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623702 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730955 (1.56353e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320201840423708 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.83202013794228 (5.54074e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.8320200998172953 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733764 (3.10617e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8320200654921726 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872656 (4.21253e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.832020058365486 (1.64481e-07% change) linmin: converged after 19 iterations. iteration 29: trace = 0.8320200576761879 (8.28463e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320200574763272 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161726 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89377e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.832020057197676 (4.34826e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735461 (2.90016e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200571592896 (1.71348e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525682 (8.07841e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484559 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461505 (2.77095e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449834 (1.40269e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.5122787952423096 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 13.451846599578857 done /tmp/meep4PaIBY/test_anisotropic_2d_gap-0: 13.52s /tmp/meep4PaIBY/test_attribute_accessors-0 ======================== /tmp/meep4PaIBY/test_attribute_accessors-0: 0.01s /tmp/meep4PaIBY/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.00018405914306640625 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.80144625027669 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800010011 (33.4999% change) linmin: converged after 7 iterations. iteration 3: trace = 18.80241114661619 (5.29053% change) linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. iteration 5: trace = 18.63017324216899 (0.0737524% change) linmin: converged after 5 iterations. iteration 6: trace = 18.62916003541502 (0.00543867% change) linmin: converged after 4 iterations. iteration 7: trace = 18.62909545680369 (0.000346654% change) linmin: converged after 4 iterations. iteration 8: trace = 18.62908848466774 (3.74261e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 18.62908777894175 (3.7883e-06% change) linmin: converged after 16 iterations. switching to approximate line minimization (decrease time by 61.7284%) iteration 10: trace = 18.6290877002945 (4.22174e-07% change) iteration 11: trace = 18.62908769515245 (2.76022e-08% change) iteration 12: trace = 18.6290876948879 (1.42013e-09% change) iteration 13: trace = 18.62908769487537 (6.72627e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.0018389225006103516 total elapsed time for run: 0.002095937728881836 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meep4PaIBY/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meep4PaIBY/test_bragg-0: 0.05s /tmp/meep4PaIBY/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.01581263542175293 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 19 iterations. iteration 1: trace = 17.30275056401984 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863671 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013078 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486917231 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618686 (0.0540165% change) linmin: converged after 8 iterations. iteration 6: trace = 11.08249596622674 (0.00433692% change) linmin: converged after 5 iterations. iteration 7: trace = 11.08219937792676 (0.00267622% change) large trace change predicted (0.0167811%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305304217878 (0.0662353% change) linmin: converged after 5 iterations. iteration 10: trace = 11.07180721242442 (0.0112516% change) linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167968197878 (8.3328e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 53%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) iteration 17: trace = 11.07167456093305 (5.6564e-06% change) iteration 18: trace = 11.07167451845902 (3.83628e-07% change) iteration 19: trace = 11.0716745146709 (3.42145e-08% change) iteration 20: trace = 11.07167451443016 (2.17438e-09% change) iteration 21: trace = 11.0716745143937 (3.29274e-10% change) iteration 22: trace = 11.07167451429858 (8.59181e-10% change) iteration 23: trace = 11.07167451395079 (3.14127e-09% change) iteration 24: trace = 11.07167451360991 (3.07881e-09% change) iteration 25: trace = 11.07167451351465 (8.60384e-10% change) iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.002521038055419922 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 56.5891%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization large trace change predicted (0.0932951%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806746706182 (0.0874298% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01664404674312 (0.0129198% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540354927172 (0.0112608% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01433928375019 (0.00966208% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352665863151 (0.00737816% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297368604901 (0.00502098% change) linmin: converged after 6 iterations. iteration 10: trace = 11.01260367498397 (0.00335983% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01234600828291 (0.00233977% change) linmin: converged after 7 iterations. iteration 12: trace = 11.01215736521394 (0.00171303% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01201270994144 (0.0013136% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01189720798149 (0.00104888% change) linmin: converged after 6 iterations. iteration 15: trace = 11.01180164458289 (0.000867823% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172002227122 (0.000741229% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164825313236 (0.000651754% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158341982805 (0.000588772% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152333759738 (0.000545629% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01146628263761 (0.00051814% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141081766347 (0.000503703% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01135567480688 (0.00050078% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01129967373822 (0.000508577% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124166425714 (0.000526819% change) linmin: converged after 7 iterations. iteration 25: trace = 11.01118048582044 (0.000555601% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111494136685 (0.000595255% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104378715495 (0.000646206% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096573549305 (0.000708851% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01087947554889 (0.000783403% change) linmin: converged after 6 iterations. iteration 30: trace = 11.01078370865238 (0.000869752% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01067719511959 (0.000967361% change) linmin: converged after 7 iterations. iteration 32: trace = 11.0105588184778 (0.00107511% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042763386273 (0.00119145% change) linmin: converged after 5 iterations. iteration 34: trace = 11.0102829332154 (0.00131422% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01012428690288 (0.0014409% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995166081934 (0.0015679% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00976540309208 (0.00169174% change) linmin: converged after 7 iterations. iteration 38: trace = 11.0095663406236 (0.00180807% change) linmin: converged after 5 iterations. iteration 39: trace = 11.00935597949786 (0.00191073% change) linmin: converged after 6 iterations. iteration 40: trace = 11.00913645340698 (0.00199402% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891053152842 (0.00205215% change) linmin: converged after 8 iterations. iteration 42: trace = 11.00868145429236 (0.00208086% change) linmin: converged after 6 iterations. iteration 43: trace = 11.00845263388484 (0.00207857% change) linmin: converged after 5 iterations. iteration 44: trace = 11.00822723038049 (0.00204757% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800786328904 (0.00199278% change) linmin: converged after 6 iterations. iteration 46: trace = 11.00779643783161 (0.00192067% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759390248773 (0.00183994% change) linmin: converged after 6 iterations. iteration 48: trace = 11.00740071738865 (0.00175503% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00721679634582 (0.0016709% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704174241288 (0.00159037% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687501456139 (0.00151475% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671594221069 (0.00144522% change) linmin: converged after 5 iterations. iteration 53: trace = 11.0065639269633 (0.00138112% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00641839206615 (0.00132226% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00627882365528 (0.00126807% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614477805909 (0.00121791% change) linmin: converged after 5 iterations. iteration 57: trace = 11.00601589002765 (0.00117106% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00589182996989 (0.00112721% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577235804738 (0.00108553% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565724990092 (0.00104589% change) linmin: converged after 5 iterations. iteration 61: trace = 11.0055463444867 (0.00100772% change) linmin: converged after 5 iterations. iteration 62: trace = 11.00543948448586 (0.00097097% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533654887428 (0.00093532% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00523742354759 (0.000900706% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514200366712 (0.000867044% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505018069374 (0.000834368% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496184504172 (0.000802686% change) linmin: converged after 7 iterations. iteration 68: trace = 11.00487689134744 (0.000771961% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479520018456 (0.000742321% change) resetting CG direction... large trace change predicted (0.115539%) linmin: converged after 7 iterations. iteration 70: trace = 10.99202103429551 (0.116146% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99062236117629 (0.0127252% change) linmin: converged after 8 iterations. iteration 72: trace = 10.98948431511006 (0.0103552% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818648561436 (0.0118104% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802559188107 (0.00146425% change) linmin: converged after 4 iterations. iteration 75: trace = 10.98801515639975 (9.49714e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 10.98801412705257 (9.36791e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 10.9880140963765 (2.79178e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409322136 (2.87144e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409310473 (1.06138e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409303983 (5.90652e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801409311148 (6.5202e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299052 (1.1008e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409304876 (5.29996e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.05492711067199707 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046824373 (0.00793522% change) linmin: converged after 4 iterations. iteration 2: trace = 10.90359830907354 (0.0014872% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960463483 (0.000813537% change) linmin: converged after 7 iterations. iteration 4: trace = 10.90345230354924 (0.00052553% change) linmin: converged after 4 iterations. iteration 5: trace = 10.90344655289567 (5.27416e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 10.90344608445378 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27771e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0012717247009277344 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743302 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048751 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.8286391456429 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430636 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.017427921295166016 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0011398792266845703 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.001104593276977539 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762052 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10246e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.01732325553894043 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633392 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05255e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0011112689971923828 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0009970664978027344 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.017195940017700195 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.0010266304016113281 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% total elapsed time for run: 0.1324613094329834 done /tmp/meep4PaIBY/test_bragg_sine-0: 0.15s /tmp/meep4PaIBY/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013513565063476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9784524440765381 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.226348400115967 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.693387508392334 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.537844181060791 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6465754508972168 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.017838478088379 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7535769939422607 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6328611373901367 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5414116382598877 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4514644145965576 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.44762182235717773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.40918564796447754 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.39252638816833496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.5856637954711914 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7473664283752441 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.6527528762817383 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 12.717470169067383 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meep4PaIBY/test_compute_field_energy-0: 12.82s /tmp/meep4PaIBY/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013661384582519531 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6030325889587402 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.173978805541992 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.4946413040161133 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.4755241870880127 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5078301429748535 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.823439359664917 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6803150177001953 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.47840428352355957 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.4053535461425781 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.42296600341796875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.46332526206970215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.4010434150695801 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.47203493118286133 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.651292085647583 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7455728054046631 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 1.6523783206939697 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 11.45379376411438 done /tmp/meep4PaIBY/test_compute_group_velocity-0: 11.48s /tmp/meep4PaIBY/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013537406921386719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9626119136810303 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.304009437561035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5606498718261719 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5387222766876221 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6838009357452393 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.0601756572723389 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.5522189140319824 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5472841262817383 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3468310832977295 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4217078685760498 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4665980339050293 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.46178412437438965 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5088536739349365 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6677713394165039 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.822089433670044 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.7999248504638672 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 12.707661867141724 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meep4PaIBY/test_compute_integrals-0: 12.71s /tmp/meep4PaIBY/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.12923049926757812 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 7.793809388876734 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878233 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 7 iterations. iteration 4: trace = 1.145863323821901 (7.11868% change) linmin: converged after 7 iterations. iteration 5: trace = 1.108732460474563 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867568 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224123 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773776 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120796 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396717 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570877 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595675 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516338 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104173 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198566 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055662 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245545 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130558 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476406 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283009 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 5 iterations. iteration 26: trace = 1.074908146483132 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 5 iterations. iteration 27: trace = 1.07490262826197 (0.000513368% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894274699342 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559310737 (0.000810817% change) linmin: converged after 6 iterations. iteration 30: trace = 1.074878751252922 (0.000633377% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074871979340896 (0.000630018% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074864290595143 (0.00071532% change) linmin: converged after 4 iterations. iteration 33: trace = 1.074857335705497 (0.00064705% change) linmin: converged after 4 iterations. iteration 34: trace = 1.074852611926326 (0.000439481% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074850531090792 (0.000193593% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707707753 (7.66045e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321547 (2.8505e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849273654745 (1.18776e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074849202666278 (6.6045e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074849166432867 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150238921 (1.50662e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.074849143715029 (6.06959e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.074849140933313 (2.58801e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366316 (1.45788e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485003 (8.19942e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 1.074849138034085 (4.19517e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805405 (2.12755e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.13402e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606227 (7.19065e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561233 (4.18604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540571 (1.92229e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849137533237 (6.82361e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849137531041 (2.04289e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 2.5943851470947266 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895003848 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649228938 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517250925701 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07226731835112 (0.0233061% change) linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 53.0984%) iteration 5: trace = 1.072198684379732 (0.00640103% change) iteration 6: trace = 1.072184614564205 (0.00131225% change) iteration 7: trace = 1.07217681353548 (0.000727585% change) iteration 8: trace = 1.072174588847854 (0.000207493% change) iteration 9: trace = 1.072173275830962 (0.000122463% change) iteration 10: trace = 1.072172792728605 (4.50582e-05% change) iteration 11: trace = 1.072172507138803 (2.66365e-05% change) iteration 12: trace = 1.072172093461229 (3.85831e-05% change) iteration 13: trace = 1.072171277807932 (7.60749e-05% change) iteration 14: trace = 1.072169342001924 (0.00018055% change) iteration 15: trace = 1.07216740800878 (0.000180381% change) iteration 16: trace = 1.072166456134452 (8.87804e-05% change) iteration 17: trace = 1.072165970150921 (4.53273e-05% change) iteration 18: trace = 1.072165682210381 (2.6856e-05% change) iteration 19: trace = 1.072165408269761 (2.55502e-05% change) iteration 20: trace = 1.072165207642083 (1.87124e-05% change) iteration 21: trace = 1.072165103670004 (9.69739e-06% change) iteration 22: trace = 1.072165061725241 (3.91216e-06% change) iteration 23: trace = 1.072165050575834 (1.0399e-06% change) iteration 24: trace = 1.072165047944453 (2.45427e-07% change) iteration 25: trace = 1.072165047307915 (5.93694e-08% change) iteration 26: trace = 1.072165047160223 (1.37751e-08% change) iteration 27: trace = 1.072165047104276 (5.21816e-09% change) iteration 28: trace = 1.07216504707599 (2.6382e-09% change) iteration 29: trace = 1.072165047059014 (1.58332e-09% change) iteration 30: trace = 1.072165047048445 (9.85855e-10% change) iteration 31: trace = 1.072165047042878 (5.19198e-10% change) iteration 32: trace = 1.072165047040117 (2.57528e-10% change) iteration 33: trace = 1.07216504703899 (1.05124e-10% change) iteration 34: trace = 1.072165047038458 (4.9621e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 1.5820884704589844 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440460661854 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480801397738 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774661777846 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06558596215881 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530749123968 (0.00518161% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516116637476 (0.00137327% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065506867096928 (0.000868085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065504381478854 (0.000233281% change) linmin: converged after 20 iterations. iteration 9: trace = 1.065503070586634 (0.00012303% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502569500113 (4.70282e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.065502155500051 (3.88549e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.065501549681534 (5.68576e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500877661737 (6.30708e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.065500247408861 (5.91509e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499908925119 (3.17676e-05% change) linmin: converged after 6 iterations. iteration 16: trace = 1.065499690650345 (2.04857e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499506859606 (1.72493e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 1.065499383711666 (1.15578e-05% change) linmin: converged after 10 iterations. iteration 19: trace = 1.065499315696529 (6.3834e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220756 (2.01556e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548647 (5.32343e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022415 (1.43241e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677924 (3.23313e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595518 (7.73412e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 1.065499286570302 (2.36657e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.065499286559615 (1.003e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.065499286551556 (7.56348e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.065499286546965 (4.30856e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.065499286545305 (1.55775e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.065499286544841 (4.35962e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.8182938098907471 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504492333 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.057983549157171 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090057405 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559149227 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691597006 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876210097 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723696452 (0.000771071% change) linmin: converged after 3 iterations. iteration 8: trace = 1.057291059107152 (0.000157439% change) linmin: converged after 4 iterations. iteration 9: trace = 1.057290409948656 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221442906 (1.78291e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 1.057290112027158 (1.03487e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289958935091 (1.44797e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 1.057289789269026 (1.60473e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.057289654908284 (1.2708e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.057289604665508 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705036 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702299 (4.73166e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 1.057289583780864 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678028 (1.04308e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.057289582066728 (5.78176e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.057289581832767 (2.21283e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749868 (7.84073e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718885 (2.93038e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 1.057289581697567 (2.01629e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676833 (1.9611e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.057289581662593 (1.34686e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656745 (5.53111e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057289581655311 (1.35563e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.057289581654964 (3.2888e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 1.5827512741088867 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648813039 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.04969128582049 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899106813 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433171498 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911037542 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854259779 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311125 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.04912824738764 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.049127791569253 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676629824 (1.09557e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.049127634484926 (4.01714e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 1.049127595483541 (3.71751e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 1.049127554116257 (3.94302e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.049127517065813 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744464 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460312 (3.13037e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551346 (8.66401e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 1.049127498234715 (3.01805e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 1.049127497940216 (2.80708e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468461 (4.49664e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.04912749701725 (4.30082e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.049127496798795 (2.08225e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 1.049127496735696 (6.01448e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 1.04912749671539 (1.93551e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707379 (7.6358e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.04912749670408 (3.14444e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.049127496702447 (1.55624e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701629 (7.79707e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 1.6911036968231201 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043459216723173 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342829217 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.04163791701394 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041500108180176 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801536 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832909162 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.041452129686204 (0.000451601% change) linmin: converged after 3 iterations. iteration 8: trace = 1.041451113409505 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275421 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335737 (1.00763e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.041450551023688 (3.1026e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041450527028447 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527924 (3.1207e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 1.041450435394973 (5.67794e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 1.041450384495812 (4.88733e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324382 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415182 (3.35198e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.041450255970137 (5.99597e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450142733955 (1.08729e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.041450060666065 (7.88016e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793363 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149662 (7.33948e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239028 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.041450022517448 (6.92861e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090021 (4.10415e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.041450021597002 (4.73397e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726588 (8.35771e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065751 (1.59474e-07% change) large trace change predicted (4.18902e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.041450014703093 (4.18902e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 3 iterations. iteration 30: trace = 1.041450002242117 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 28 iterations. iteration 31: trace = 1.041449968104935 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 4 iterations. iteration 32: trace = 1.041449888871909 (7.60795e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 1.041449762143149 (1.21685e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.041449617732961 (1.38663e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.04144951880003 (9.49954e-06% change) linmin: converged after 9 iterations. iteration 36: trace = 1.041449483215058 (3.41687e-06% change) linmin: converged after 9 iterations. iteration 37: trace = 1.041449473025062 (9.78444e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.041449470385688 (2.53433e-07% change) linmin: converged after 7 iterations. iteration 39: trace = 1.041449469588859 (7.65116e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 1.0414494692873 (2.89557e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 1.04144946918914 (9.4253e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 1.041449469160065 (2.7918e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 1.041449469152535 (7.2305e-10% change) linmin: converged after 2 iterations. iteration 44: trace = 1.041449469150317 (2.12909e-10% change) linmin: converged after 7 iterations. iteration 45: trace = 1.041449469149447 (8.35559e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.5051624774932861 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meep4PaIBY/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meep4PaIBY/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meep4PaIBY/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meep4PaIBY/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 Outputting /tmp/meep4PaIBY/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665397837059 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.031261690366864 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058206436412 (0.408438% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314488128204 (0.658768% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895432957082 (0.335661% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850695561901 (0.299864% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826540751358 (0.101067% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456631623526 (0.0365291% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302654809558 (0.0152094% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263471436154 (0.00387079% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248752520257 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243324587081 (0.000536227% change) linmin: converged after 4 iterations. iteration 13: trace = 1.01223924402458 (0.000403122% change) linmin: converged after 5 iterations. iteration 14: trace = 1.012234290095461 (0.000489404% change) linmin: converged after 6 iterations. iteration 15: trace = 1.012226177557761 (0.000801452% change) linmin: converged after 9 iterations. iteration 16: trace = 1.012212339978943 (0.00136705% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494873949 (0.00136782% change) linmin: converged after 11 iterations. iteration 18: trace = 1.012188204981324 (0.00101659% change) linmin: converged after 5 iterations. iteration 19: trace = 1.01218297919167 (0.000516288% change) linmin: converged after 4 iterations. iteration 20: trace = 1.01218043189085 (0.000251664% change) linmin: converged after 4 iterations. iteration 21: trace = 1.012179050262858 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436829603 (6.06052e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138306509 (2.94931e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609167 (1.28137e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 1.012177948013672 (5.98664e-06% change) linmin: converged after 6 iterations. iteration 26: trace = 1.012177914414885 (3.31945e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177899398553 (1.48357e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.012177891703032 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.01217788801168 (3.64694e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482555 (1.51073e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943454 (5.32616e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797343 (1.44353e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757135 (3.97243e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177885742632 (1.43281e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 1.012177885736522 (6.03605e-10% change) linmin: converged after 2 iterations. iteration 36: trace = 1.012177885733502 (2.98369e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.012177885731939 (1.54483e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.012177885730721 (1.20304e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 1.012177885728827 (1.87169e-10% change) large trace change predicted (3.80064e-10%) linmin: converged after 2 iterations. iteration 40: trace = 1.012177885724978 (3.80261e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.012177885719433 (5.47819e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.012177885715908 (3.48189e-10% change) linmin: converged after 14 iterations. iteration 43: trace = 1.012177885714418 (1.47265e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 1.012177885713609 (7.99615e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.5397119522094727 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055188298 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516790651 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9859151345716293 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.985647300407698 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861005799 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500246653 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508568237 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.985552063352612 (0.000110345% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9855516310520258 (4.38638e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9855514450621253 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230132311 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986807513 (1.26155e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9855510508799641 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 3 iterations. iteration 14: trace = 0.9855506934424965 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 3 iterations. iteration 15: trace = 0.985549532109924 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 5 iterations. iteration 16: trace = 0.9855348565446871 (0.00148909% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855128969316 (0.00500691% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692402667926 (0.00165124% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542300886089 (0.00152316% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392649362453 (0.00151862% change) linmin: converged after 5 iterations. iteration 21: trace = 0.9854239722198402 (0.00155188% change) linmin: converged after 6 iterations. iteration 22: trace = 0.9854083684732544 (0.00158347% change) linmin: converged after 6 iterations. iteration 23: trace = 0.9853925741633316 (0.00160283% change) linmin: converged after 8 iterations. iteration 24: trace = 0.9853765729787906 (0.00162385% change) linmin: converged after 6 iterations. iteration 25: trace = 0.9853601696156605 (0.00166469% change) linmin: converged after 4 iterations. iteration 26: trace = 0.9853431496991473 (0.00172729% change) linmin: converged after 8 iterations. iteration 27: trace = 0.9853255026627004 (0.00179097% change) linmin: converged after 5 iterations. iteration 28: trace = 0.9853075630952601 (0.00182069% change) linmin: converged after 6 iterations. iteration 29: trace = 0.9852899490352933 (0.00178769% change) linmin: converged after 7 iterations. iteration 30: trace = 0.9852733023270256 (0.00168954% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580337173045 (0.00154969% change) linmin: converged after 5 iterations. iteration 32: trace = 0.9852442543374391 (0.00139857% change) linmin: converged after 5 iterations. iteration 33: trace = 0.985231862479748 (0.00125775% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206618582084 (0.00113686% change) linmin: converged after 4 iterations. iteration 35: trace = 0.9852104436668068 (0.00103715% change) linmin: converged after 4 iterations. iteration 36: trace = 0.9852010267694385 (0.000955831% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922707657738 (0.000888757% change) linmin: converged after 5 iterations. iteration 38: trace = 0.9851840752170786 (0.000831876% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763729006142 (0.000781818% change) linmin: converged after 4 iterations. iteration 40: trace = 0.9851691211441531 (0.00073609% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622932971058 (0.000693066% change) linmin: converged after 4 iterations. iteration 42: trace = 0.9851558714181892 (0.000651862% change) linmin: converged after 7 iterations. iteration 43: trace = 0.9851498407039714 (0.00061216% change) linmin: converged after 4 iterations. iteration 44: trace = 0.9851441857865988 (0.000574018% change) linmin: converged after 3 iterations. iteration 45: trace = 0.985138888731518 (0.000537695% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339283801893 (0.000503519% change) linmin: converged after 5 iterations. iteration 47: trace = 0.9851292806139219 (0.000471791% change) linmin: converged after 5 iterations. iteration 48: trace = 0.9851249191412356 (0.000442732% change) linmin: converged after 5 iterations. iteration 49: trace = 0.9851208164943569 (0.00041646% change) linmin: converged after 7 iterations. iteration 50: trace = 0.9851169450206767 (0.000392996% change) linmin: converged after 6 iterations. iteration 51: trace = 0.98511327775936 (0.000372267% change) linmin: converged after 6 iterations. iteration 52: trace = 0.9851097890899687 (0.00035414% change) linmin: converged after 6 iterations. iteration 53: trace = 0.9851064552744269 (0.000338421% change) linmin: converged after 5 iterations. iteration 54: trace = 0.9851032547703812 (0.00032489% change) linmin: converged after 10 iterations. iteration 55: trace = 0.9851001684508838 (0.0003133% change) linmin: converged after 5 iterations. iteration 56: trace = 0.9850971796720276 (0.000303399% change) linmin: converged after 7 iterations. iteration 57: trace = 0.9850942742877831 (0.000294934% change) linmin: converged after 6 iterations. iteration 58: trace = 0.9850914405924186 (0.000287658% change) linmin: converged after 5 iterations. iteration 59: trace = 0.9850886692151541 (0.000281332% change) linmin: converged after 5 iterations. iteration 60: trace = 0.9850859529521843 (0.000275738% change) linmin: converged after 5 iterations. iteration 61: trace = 0.9850832866040293 (0.000270672% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806667244562 (0.000265955% change) linmin: converged after 5 iterations. iteration 63: trace = 0.9850780913970321 (0.000261433% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755599574288 (0.000256979% change) linmin: converged after 4 iterations. iteration 65: trace = 0.985073072711337 (0.000252493% change) linmin: converged after 9 iterations. iteration 66: trace = 0.9850706306647989 (0.000247905% change) linmin: converged after 5 iterations. iteration 67: trace = 0.985068235267187 (0.00024317% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658881533723 (0.000238269% change) linmin: converged after 5 iterations. iteration 69: trace = 0.985063590940732 (0.000233204% change) resetting CG direction... large trace change predicted (0.0412898%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563196041052 (0.0413532% change) linmin: converged after 4 iterations. iteration 71: trace = 0.984460172875407 (0.0199223% change) linmin: converged after 6 iterations. iteration 72: trace = 0.9843700906741131 (0.00915083% change) linmin: converged after 14 iterations. iteration 73: trace = 0.9843454545448174 (0.00250276% change) linmin: converged after 4 iterations. iteration 74: trace = 0.9843309741919005 (0.00147107% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269360202447 (0.000410246% change) linmin: converged after 3 iterations. iteration 76: trace = 0.9843259254984992 (0.000102661% change) linmin: converged after 4 iterations. iteration 77: trace = 0.9843252602685482 (6.75823e-05% change) linmin: converged after 16 iterations. iteration 78: trace = 0.9843249585507656 (3.06522e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 0.9843248269971381 (1.33649e-05% change) linmin: converged after 2 iterations. iteration 80: trace = 0.9843247642123778 (6.37846e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 0.9843247334098921 (3.1293e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.984324723958899 (9.6015e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 0.9843247200088455 (4.01296e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177580875 (2.2866e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140371205 (3.78022e-07% change) large trace change predicted (8.16989e-07%) linmin: converged after 2 iterations. iteration 86: trace = 0.9843247059952753 (8.16991e-07% change) large trace change predicted (1.83743e-06%) linmin: converged after 4 iterations. iteration 87: trace = 0.9843246879092212 (1.83741e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 0.9843246566937983 (3.17125e-06% change) linmin: converged after 12 iterations. iteration 89: trace = 0.9843246205603506 (3.67089e-06% change) linmin: converged after 6 iterations. iteration 90: trace = 0.9843246064917135 (1.42927e-06% change) linmin: converged after 4 iterations. iteration 91: trace = 0.9843246017421556 (4.82519e-07% change) linmin: converged after 15 iterations. iteration 92: trace = 0.9843246002812871 (1.48413e-07% change) linmin: converged after 15 iterations. iteration 93: trace = 0.9843245999240356 (3.62941e-08% change) linmin: converged after 2 iterations. iteration 94: trace = 0.9843245998040695 (1.21877e-08% change) linmin: converged after 12 iterations. iteration 95: trace = 0.9843245997561265 (4.87065e-09% change) linmin: converged after 2 iterations. iteration 96: trace = 0.984324599743098 (1.32359e-09% change) linmin: converged after 6 iterations. iteration 97: trace = 0.9843245997404753 (2.66456e-10% change) linmin: converged after 5 iterations. iteration 98: trace = 0.98432459973966 (8.28219e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 4.92689061164856 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769162550884 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655328838 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712707753 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893041329 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9577534782583605 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044742992433 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.957678608700972 (0.00270083% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9576698780915163 (0.000911647% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9576629132375227 (0.000727274% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9576596029352235 (0.000345665% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9576578418195354 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119811831 (0.000107537% change) linmin: converged after 6 iterations. iteration 13: trace = 0.9576563729680012 (4.58424e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 0.957656162940498 (2.19314e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823076754 (8.41981e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023076899 (8.35373e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.9576558845371623 (1.22978e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.9576557606443735 (1.29371e-05% change) linmin: converged after 16 iterations. iteration 19: trace = 0.9576556898704909 (7.39033e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427426 (2.4046e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473576 (6.78259e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9576556586034638 (1.821e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296494 (3.90343e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.957655658138399 (9.52851e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9576556581169073 (2.2442e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9576556581121087 (5.01078e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107251 (1.44485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.9576556581103867 (3.53359e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 1.5069992542266846 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872279074 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597503945 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9419818739420041 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083705044 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.941178489641032 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.941143767365517 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197606909 (0.001652% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9411228844417709 (0.000566908% change) linmin: converged after 5 iterations. iteration 9: trace = 0.941117722408049 (0.000548499% change) linmin: converged after 5 iterations. iteration 10: trace = 0.941114219421422 (0.000372216% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9411125302484304 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700160256 (9.14059e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9411114151348463 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9411113125577422 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840456513 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.941111273192456 (1.15323e-06% change) linmin: converged after 16 iterations. iteration 17: trace = 0.94111126758551 (5.95779e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9411112644312032 (3.35168e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729316 (2.50584e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571732 (2.14189e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302732 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.941111257989665 (6.80693e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9411112578179159 (1.82496e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112577748121 (4.5801e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9411112577644241 (1.1038e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 0.9411112577622927 (2.26478e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9411112577617189 (6.09666e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 1.119182825088501 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.943149622533588 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968473 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397293 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716033 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243526 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145807 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214858 (0.00115844% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9357260906567765 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394753 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926677 (6.7418e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 0.9357241186857086 (4.23957e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9357237683382202 (3.74413e-05% change) linmin: converged after 10 iterations. iteration 13: trace = 0.935723617089507 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974385 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444157 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266034 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195192 (2.14495e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9357235229374889 (7.2888e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208481 (2.31522e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594718 (6.55924e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426126 (1.80173e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 0.9357235226371328 (5.85626e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9357235226350258 (2.25171e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 0.9357235226340186 (1.07638e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9357235226332407 (8.31371e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 1.1145892143249512 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 0.9531656172628182 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869299405 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825934503 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027171317 (0.0261402% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9458090123516956 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513713 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144911188 (0.000414304% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9457908288630992 (9.36388e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9457904833985156 (3.65265e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9457903738934332 (1.15782e-05% change) linmin: converged after 26 iterations. iteration 11: trace = 0.9457903287957015 (4.76826e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 0.9457903098667397 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.9457903008332839 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373178 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826209 (5.13295e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358908 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649601 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788896 (4.08199e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821075 (1.02329e-08% change) linmin: converged after 7 iterations. iteration 20: trace = 0.9457902837614072 (2.18868e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.945790283757146 (4.50538e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 0.945790283756143 (1.06046e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9457902837559196 (2.36298e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 1.1434524059295654 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564831481 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261624482 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.975990834248475 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.975452114178449 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9753439239670312 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087037967 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.975272037997956 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795894 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173620554 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982804465 (3.27174e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9752656737712748 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265598657007 (7.70193e-06% change) linmin: converged after 17 iterations. iteration 13: trace = 0.9752655199383098 (8.07151e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 0.9752654586051188 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667248 (2.28024e-06% change) linmin: converged after 7 iterations. iteration 16: trace = 0.9752654288851411 (7.67133e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617365 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193403 (4.53616e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923921 (1.30168e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 0.9752654264573521 (3.59287e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 0.9752654264468739 (1.0744e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264435003 (3.45908e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 0.9752654264424251 (1.10252e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419832 (4.53075e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 1.1386771202087402 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457520419 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395897336 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596101271 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682335045 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077776927 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274745937 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585207891 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585336 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501742 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.01810468837702 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639057 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304769 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799559 (1.31131e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103254441688 (8.18757e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 1.018103204661002 (4.88955e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 1.018103175566661 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363197 (1.39509e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 1.018103152357126 (8.84593e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246918 (5.01934e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530308 (2.66831e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.018103143433501 (1.0773e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.018103143020114 (4.06037e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 1.01810314286882 (1.48603e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826691 (4.13801e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 1.018103142813696 (1.27634e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 1.018103142809127 (4.48821e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.018103142807084 (2.00605e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 1.018103142806047 (1.01895e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 1.018103142805606 (4.33139e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 1.4507825374603271 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748029 (2.88237% change) linmin: converged after 7 iterations. iteration 2: trace = 1.066262027914339 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961827 (0.605598% change) linmin: converged after 6 iterations. iteration 4: trace = 1.056454446691285 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208747 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.05397332735512 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.05344252612877 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305837 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.0531162198055 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622623 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815097 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787845 (0.000843361% change) linmin: converged after 5 iterations. iteration 13: trace = 1.053042139513968 (0.000482722% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053037941123172 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143529 (0.000246713% change) linmin: converged after 6 iterations. iteration 16: trace = 1.053034079935659 (0.000119959% change) linmin: converged after 4 iterations. iteration 17: trace = 1.053033595937135 (4.59623e-05% change) linmin: converged after 9 iterations. iteration 18: trace = 1.053033362151754 (2.22011e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.053033220622903 (1.34401e-05% change) linmin: converged after 11 iterations. iteration 20: trace = 1.053033136180687 (8.01895e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053033092856198 (4.11426e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955415 (2.17474e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.053033056567222 (1.27139e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 1.05303305008669 (6.15416e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 1.053033046929835 (2.99787e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053033045492551 (1.3649e-07% change) linmin: converged after 19 iterations. iteration 27: trace = 1.053033044713319 (7.39988e-08% change) linmin: converged after 6 iterations. iteration 28: trace = 1.053033044195598 (4.91647e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.053033043811568 (3.64689e-08% change) linmin: converged after 24 iterations. iteration 30: trace = 1.053033043579921 (2.19981e-08% change) linmin: converged after 16 iterations. iteration 31: trace = 1.053033043469697 (1.04673e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.0530330434293 (3.83627e-09% change) linmin: converged after 7 iterations. iteration 33: trace = 1.05303304341561 (1.30005e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 1.053033043410187 (5.1503e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407255 (2.7838e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.053033043404646 (2.47805e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.053033043402348 (2.182e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401233 (1.05895e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.053033043400871 (3.43705e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 1.9612672328948975 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.12541850919236 (26.786% change) linmin: converged after 7 iterations. iteration 2: trace = 1.08619937468154 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602844 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402309 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177230312 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467129 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105589 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340981 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768306 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340358 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630053 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322814 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598676 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 5 iterations. iteration 15: trace = 1.064751934186259 (6.12325e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 1.064751716375272 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473249 (7.03469e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763331 (3.07207e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.064751594444214 (1.34483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.06475158837894 (5.69642e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065937 (3.11153e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775816 (2.15085e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427309 (1.2665e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863345 (5.29667e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55369e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656121 (3.92531e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642664 (1.26382e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.064751580638185 (4.2069e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.064751580636456 (1.62349e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064751580635717 (6.94442e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.8017392158508301 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 8 iterations. iteration 1: trace = 1.083139123992417 (4.15252% change) linmin: converged after 5 iterations. iteration 2: trace = 1.067759464050389 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847679 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359693037 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753351 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102725 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517808 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.05401502612871 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710522 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348826 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616983 (0.000302661% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901410289627 (8.61871e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.05390119038552 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722909 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329605 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387588 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297739 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619983 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05390098932063 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.0851e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524416 (5.681e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.053900986366485 (1.49853e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053900986325057 (3.93094e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310452 (1.3858e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.053900986303702 (6.40492e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 1.053900986300591 (2.95195e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05390098629891 (1.59491e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 1.053900986298101 (7.66905e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 1.3449962139129639 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 5 iterations. iteration 2: trace = 1.055450127301309 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005146 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.051047423636178 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910739 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407953 (0.00415403% change) linmin: converged after 13 iterations. iteration 8: trace = 1.050735518700122 (0.00388965% change) linmin: converged after 14 iterations. iteration 9: trace = 1.05071240662951 (0.00219963% change) linmin: converged after 6 iterations. iteration 10: trace = 1.05070364518221 (0.000833861% change) linmin: converged after 5 iterations. iteration 11: trace = 1.050700527947626 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774886 (9.47152e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.050699177150716 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583583 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853754 (3.87645e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022351 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.050698989966915 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063555 (1.22807e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444921 (9.15451e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.050698960362374 (6.7408e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05069895675734 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164588 (1.5159e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.050698954594425 (5.42651e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368863 (2.14678e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.050698954208974 (1.52174e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.050698954069495 (1.32749e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980488 (8.47124e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05069895394582 (3.29944e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 1.050698953935615 (9.71296e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698953931685 (3.74034e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.050698953929971 (1.63105e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 1.050698953929235 (7.01194e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 1.2731473445892334 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873744 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383223 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626861 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387668 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.074888810319114 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358737 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664524 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074133138557679 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054006 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989909 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121528 (0.000863934% change) linmin: converged after 5 iterations. iteration 12: trace = 1.074016815860774 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574363 (0.000161011% change) linmin: converged after 6 iterations. iteration 14: trace = 1.074014221795536 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483249 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 4 iterations. iteration 16: trace = 1.074011812469386 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 4 iterations. iteration 17: trace = 1.074006542454216 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701043993 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054645502 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865046142 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051812973 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.07378693025206 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.0737659518532 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099950269 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.073726549676299 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.073706652689816 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048051374 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.073664807501256 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487580023 (0.00198573% change) linmin: converged after 5 iterations. iteration 30: trace = 1.073622933032509 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.07360384532916 (0.00177789% change) linmin: converged after 4 iterations. iteration 32: trace = 1.073586422578324 (0.00162284% change) linmin: converged after 4 iterations. iteration 33: trace = 1.073570337599195 (0.00149826% change) linmin: converged after 5 iterations. iteration 34: trace = 1.073554964216164 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.073539629111783 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.073523800557312 (0.00147444% change) linmin: converged after 5 iterations. iteration 37: trace = 1.073507219132297 (0.00154459% change) linmin: converged after 5 iterations. iteration 38: trace = 1.073489949994471 (0.00160868% change) linmin: converged after 5 iterations. iteration 39: trace = 1.073472300710094 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608100435 (0.00164818% change) linmin: converged after 5 iterations. iteration 41: trace = 1.073437013909054 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419364022907 (0.00164425% change) linmin: converged after 5 iterations. iteration 43: trace = 1.073401253270827 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150273139 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.073361544274597 (0.00191974% change) linmin: converged after 5 iterations. iteration 46: trace = 1.073339086869269 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.0733146998701 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605868499 (0.00243119% change) linmin: converged after 6 iterations. iteration 49: trace = 1.073261255731287 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183629791 (0.00261562% change) linmin: converged after 5 iterations. iteration 51: trace = 1.073204865368481 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643583644 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730774121 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259223257 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.073094338581713 (0.00250866% change) linmin: converged after 4 iterations. iteration 56: trace = 1.073068095037494 (0.00244563% change) linmin: converged after 5 iterations. iteration 57: trace = 1.073042682944551 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.073018272547576 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024612558 (0.00216662% change) linmin: converged after 6 iterations. iteration 60: trace = 1.072973064492201 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.07295246522056 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243659503 (0.00179148% change) linmin: converged after 5 iterations. iteration 63: trace = 1.072915368237282 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773485888 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375914925 (0.00143515% change) linmin: converged after 5 iterations. iteration 66: trace = 1.07286908699412 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855821017247 (0.0012365% change) linmin: converged after 5 iterations. iteration 68: trace = 1.072843497548598 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039606205 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123246697 (0.0591056% change) linmin: converged after 11 iterations. iteration 71: trace = 1.071347118100411 (0.0794017% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541462571156 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830362378 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879030013 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.06960456504369 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041212764 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034115 (0.00096077% change) linmin: converged after 3 iterations. iteration 78: trace = 1.06956988683477 (0.000175603% change) linmin: converged after 6 iterations. iteration 79: trace = 1.069568934567893 (8.90327e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.069568397381253 (5.02246e-05% change) linmin: converged after 8 iterations. iteration 81: trace = 1.069567984275078 (3.86236e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172072 (1.87088e-05% change) linmin: converged after 5 iterations. iteration 83: trace = 1.069567559606963 (2.09959e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 1.069567395326011 (1.53596e-05% change) linmin: converged after 4 iterations. iteration 85: trace = 1.069567279690026 (1.08115e-05% change) linmin: converged after 3 iterations. iteration 86: trace = 1.069567202427639 (7.22371e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 1.069567123735223 (7.35741e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990371388 (1.2469e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 1.069566806433497 (1.71974e-05% change) linmin: converged after 4 iterations. iteration 90: trace = 1.06956661150398 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258366617 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649807807 (5.68977e-05% change) large trace change predicted (0.000165074%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887336443 (0.000164784% change) large trace change predicted (0.000584338%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557815165069 (0.000567726% change) large trace change predicted (0.00612952%) linmin: converged after 6 iterations. iteration 95: trace = 1.069531839246459 (0.00242869% change) linmin: converged after 9 iterations. iteration 96: trace = 1.069511579385202 (0.00189429% change) linmin: converged after 5 iterations. iteration 97: trace = 1.069496499392767 (0.00141% change) linmin: converged after 7 iterations. iteration 98: trace = 1.069483716543019 (0.00119523% change) linmin: converged after 6 iterations. iteration 99: trace = 1.069471277197261 (0.00116312% change) linmin: converged after 7 iterations. iteration 100: trace = 1.069459233408667 (0.00112615% change) linmin: converged after 5 iterations. iteration 101: trace = 1.069448850848533 (0.000970828% change) linmin: converged after 6 iterations. iteration 102: trace = 1.069440422795555 (0.000788078% change) linmin: converged after 7 iterations. iteration 103: trace = 1.069433416212622 (0.000655166% change) linmin: converged after 5 iterations. iteration 104: trace = 1.069427351736662 (0.000567075% change) linmin: converged after 8 iterations. iteration 105: trace = 1.069421992103733 (0.00050117% change) linmin: converged after 5 iterations. iteration 106: trace = 1.069417237519406 (0.000444595% change) linmin: converged after 6 iterations. iteration 107: trace = 1.069413022021763 (0.000394187% change) linmin: converged after 6 iterations. iteration 108: trace = 1.069409272259892 (0.000350638% change) linmin: converged after 4 iterations. iteration 109: trace = 1.06940590848495 (0.000314546% change) linmin: converged after 7 iterations. iteration 110: trace = 1.06940285697721 (0.000285346% change) linmin: converged after 5 iterations. iteration 111: trace = 1.069400058396974 (0.000261696% change) linmin: converged after 5 iterations. iteration 112: trace = 1.069397468516894 (0.000242181% change) linmin: converged after 7 iterations. iteration 113: trace = 1.069395055875793 (0.000225608% change) linmin: converged after 9 iterations. iteration 114: trace = 1.069392796386516 (0.000211287% change) linmin: converged after 5 iterations. iteration 115: trace = 1.069390668910921 (0.000198943% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388652696546 (0.000188539% change) linmin: converged after 6 iterations. iteration 117: trace = 1.069386726442644 (0.000180127% change) linmin: converged after 5 iterations. iteration 118: trace = 1.069384868352376 (0.000173753% change) linmin: converged after 6 iterations. iteration 119: trace = 1.069383057332511 (0.000169352% change) linmin: converged after 6 iterations. iteration 120: trace = 1.069381274373169 (0.000166728% change) linmin: converged after 7 iterations. iteration 121: trace = 1.069379503629997 (0.000165586% change) linmin: converged after 6 iterations. iteration 122: trace = 1.06937773351218 (0.000165528% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375957366056 (0.000166092% change) linmin: converged after 8 iterations. iteration 124: trace = 1.069374173457037 (0.000166818% change) linmin: converged after 9 iterations. iteration 125: trace = 1.069372384652223 (0.000167276% change) linmin: converged after 7 iterations. iteration 126: trace = 1.069370597434022 (0.000167128% change) linmin: converged after 7 iterations. iteration 127: trace = 1.069368820672356 (0.00016615% change) linmin: converged after 10 iterations. iteration 128: trace = 1.069367064099303 (0.000164263% change) linmin: converged after 7 iterations. iteration 129: trace = 1.069365336884848 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363646673044 (0.000158058% change) linmin: converged after 6 iterations. iteration 131: trace = 1.069361998933396 (0.000154086% change) linmin: converged after 6 iterations. iteration 132: trace = 1.06936039676481 (0.000149825% change) linmin: converged after 5 iterations. iteration 133: trace = 1.069358841058143 (0.00014548% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357330878591 (0.000141223% change) linmin: converged after 5 iterations. iteration 135: trace = 1.069355864030672 (0.000137171% change) linmin: converged after 5 iterations. iteration 136: trace = 1.069354437527888 (0.000133398% change) linmin: converged after 5 iterations. iteration 137: trace = 1.069353048108584 (0.000129931% change) linmin: converged after 5 iterations. iteration 138: trace = 1.0693516925948 (0.00012676% change) linmin: converged after 5 iterations. iteration 139: trace = 1.069350368259246 (0.000123845% change) resetting CG direction... large trace change predicted (0.0145452%) linmin: converged after 5 iterations. iteration 140: trace = 1.06919467577691 (0.0145606% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117230600771 (0.00724358% change) linmin: converged after 3 iterations. iteration 142: trace = 1.06907543512649 (0.00390942% change) linmin: converged after 3 iterations. iteration 143: trace = 1.069028117048828 (0.00442617% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963766205729 (0.00601975% change) linmin: converged after 4 iterations. iteration 145: trace = 1.068914036044701 (0.00465229% change) linmin: converged after 4 iterations. iteration 146: trace = 1.06885670237901 (0.00536387% change) linmin: converged after 7 iterations. iteration 147: trace = 1.068800659757166 (0.00524337% change) linmin: converged after 13 iterations. iteration 148: trace = 1.068757374156177 (0.00405% change) linmin: converged after 8 iterations. iteration 149: trace = 1.0687174178071 (0.00373865% change) linmin: converged after 5 iterations. iteration 150: trace = 1.068678931669963 (0.00360122% change) linmin: converged after 5 iterations. iteration 151: trace = 1.068654690069972 (0.0022684% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642741370287 (0.00111811% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637177609232 (0.000520639% change) linmin: converged after 4 iterations. iteration 154: trace = 1.068633795145244 (0.000316522% change) linmin: converged after 9 iterations. iteration 155: trace = 1.068631062357219 (0.000255728% change) linmin: converged after 6 iterations. iteration 156: trace = 1.068628610441698 (0.000229445% change) linmin: converged after 9 iterations. iteration 157: trace = 1.068627264780258 (0.000125924% change) linmin: converged after 6 iterations. iteration 158: trace = 1.068626757598467 (4.74611e-05% change) linmin: converged after 15 iterations. iteration 159: trace = 1.068626630697034 (1.18752e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598189048 (3.04203e-06% change) linmin: converged after 16 iterations. iteration 161: trace = 1.068626583526959 (1.37205e-06% change) linmin: converged after 18 iterations. iteration 162: trace = 1.068626572373848 (1.04369e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562834236 (8.92698e-07% change) linmin: converged after 8 iterations. iteration 164: trace = 1.068626555545567 (6.8206e-07% change) linmin: converged after 4 iterations. iteration 165: trace = 1.068626551017532 (4.23725e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.068626547261765 (3.51457e-07% change) linmin: converged after 32 iterations. iteration 167: trace = 1.068626545003558 (2.11319e-07% change) linmin: converged after 4 iterations. iteration 168: trace = 1.068626543628084 (1.28714e-07% change) linmin: converged after 18 iterations. iteration 169: trace = 1.068626542453142 (1.09949e-07% change) linmin: converged after 7 iterations. iteration 170: trace = 1.068626540769312 (1.5757e-07% change) large trace change predicted (3.15147e-07%) linmin: converged after 3 iterations. iteration 171: trace = 1.068626537402118 (3.15095e-07% change) linmin: converged after 12 iterations. iteration 172: trace = 1.06862653371848 (3.44708e-07% change) linmin: converged after 4 iterations. iteration 173: trace = 1.068626531660911 (1.92543e-07% change) linmin: converged after 5 iterations. iteration 174: trace = 1.068626530812449 (7.93975e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530493246 (2.98703e-08% change) linmin: converged after 5 iterations. iteration 176: trace = 1.068626530328997 (1.53701e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530255143 (6.91112e-09% change) linmin: converged after 3 iterations. iteration 178: trace = 1.068626530159087 (8.98872e-09% change) large trace change predicted (2.12638e-08%) linmin: converged after 3 iterations. iteration 179: trace = 1.068626529931826 (2.12666e-08% change) linmin: converged after 6 iterations. iteration 180: trace = 1.068626529551406 (3.5599e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 1.068626528973126 (5.41144e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 1.068626528428917 (5.0926e-08% change) linmin: converged after 4 iterations. iteration 183: trace = 1.068626527727794 (6.56097e-08% change) linmin: converged after 7 iterations. iteration 184: trace = 1.068626526903945 (7.70942e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526188616 (6.69391e-08% change) linmin: converged after 18 iterations. iteration 186: trace = 1.068626525703043 (4.54389e-08% change) linmin: converged after 3 iterations. iteration 187: trace = 1.068626525445911 (2.40619e-08% change) linmin: converged after 6 iterations. iteration 188: trace = 1.068626525377974 (6.35739e-09% change) linmin: converged after 14 iterations. iteration 189: trace = 1.068626525350735 (2.54904e-09% change) linmin: converged after 4 iterations. iteration 190: trace = 1.068626525337673 (1.22223e-09% change) linmin: converged after 4 iterations. iteration 191: trace = 1.068626525324019 (1.27777e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525308784 (1.42563e-09% change) linmin: converged after 3 iterations. iteration 193: trace = 1.068626525303249 (5.18008e-10% change) linmin: converged after 5 iterations. iteration 194: trace = 1.068626525300477 (2.59378e-10% change) linmin: converged after 3 iterations. iteration 195: trace = 1.068626525300162 (2.94224e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 8.14006757736206 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.096763739686788 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277204193 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957258273636 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.077647734905705 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735252405697 (0.0847094% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213698394368 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218821864 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.0742137394702 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.07413818824811 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932233157 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393731362 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608457238 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350200958 (2.40435e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.074119193441774 (1.45942e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.07411908697418 (9.91208e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 1.074118998456951 (8.24091e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951618411 (4.36065e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930564161 (1.96014e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922698098 (7.32327e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920434642 (2.10727e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919547764 (8.2568e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074118918877346 (6.24156e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918119925 (7.05156e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074118917268368 (7.92796e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916472529 (7.40922e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915070746 (1.30505e-07% change) large trace change predicted (3.47237e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911341003 (3.47237e-07% change) large trace change predicted (1.06059e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899948953 (1.06059e-06% change) large trace change predicted (3.74537e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859721178 (3.74519e-06% change) large trace change predicted (2.30193e-05%) linmin: converged after 5 iterations. iteration 30: trace = 1.074118613498118 (2.29233e-05% change) near maximum in trace linmin: converged after 10 iterations. iteration 31: trace = 1.074108655751404 (0.000927066% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074107965526154 (6.42603e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074107273609562 (6.44178e-05% change) linmin: converged after 7 iterations. iteration 34: trace = 1.074106572785275 (6.52472e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074105854163012 (6.69042e-05% change) linmin: converged after 7 iterations. iteration 36: trace = 1.074105111083519 (6.91812e-05% change) linmin: converged after 7 iterations. iteration 37: trace = 1.074104340386155 (7.17525e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074103542917818 (7.4245e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074102723366086 (7.6301e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 1.074101889267857 (7.76554e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101049471285 (7.8186e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 1.074100212746194 (7.79001e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 1.074099387093421 (7.68693e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 1.074098579713604 (7.51681e-05% change) linmin: converged after 7 iterations. iteration 45: trace = 1.07409779717002 (7.28559e-05% change) linmin: converged after 7 iterations. iteration 46: trace = 1.074097045327338 (6.99976e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 1.074096328980394 (6.6693e-05% change) linmin: converged after 7 iterations. iteration 48: trace = 1.074095651373328 (6.30863e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 1.074095013879034 (5.93517e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.074094415991553 (5.56643e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 1.074093855614526 (5.21721e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 1.074093329522977 (4.898e-05% change) linmin: converged after 6 iterations. iteration 53: trace = 1.074092833857883 (4.61473e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 1.074092364558236 (4.36927e-05% change) linmin: converged after 10 iterations. iteration 55: trace = 1.074091917686779 (4.16046e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.074091489651744 (3.98509e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 1.074091077310645 (3.83898e-05% change) linmin: converged after 6 iterations. iteration 58: trace = 1.074090678065244 (3.71705e-05% change) linmin: converged after 6 iterations. iteration 59: trace = 1.074090289804321 (3.61479e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089910946537 (3.52724e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089540317269 (3.45064e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.074089177141506 (3.38124e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088820919122 (3.31651e-05% change) linmin: converged after 11 iterations. iteration 64: trace = 1.074088471395562 (3.25414e-05% change) linmin: converged after 6 iterations. iteration 65: trace = 1.074088128456801 (3.19284e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.074087792088558 (3.13166e-05% change) linmin: converged after 5 iterations. iteration 67: trace = 1.074087462318584 (3.07023e-05% change) linmin: converged after 6 iterations. iteration 68: trace = 1.074087139189444 (3.00841e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 1.074086822723259 (2.94637e-05% change) resetting CG direction... large trace change predicted (0.0055245%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027479184883 (0.00552518% change) linmin: converged after 6 iterations. iteration 71: trace = 1.073989954639766 (0.00349388% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965817810877 (0.00224742% change) linmin: converged after 5 iterations. iteration 73: trace = 1.073953308665685 (0.00116477% change) linmin: converged after 4 iterations. iteration 74: trace = 1.07395063570293 (0.00024889% change) linmin: converged after 7 iterations. iteration 75: trace = 1.073949456248209 (0.000109824% change) linmin: converged after 3 iterations. iteration 76: trace = 1.073948845380342 (5.68805e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 1.07394801301036 (7.75056e-05% change) linmin: converged after 4 iterations. iteration 78: trace = 1.073947354740387 (6.12944e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 1.073947065352864 (2.69462e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946951001549 (1.06478e-05% change) linmin: converged after 18 iterations. iteration 81: trace = 1.073946904281842 (4.35028e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 1.073946875072949 (2.71977e-06% change) linmin: converged after 2 iterations. iteration 83: trace = 1.073946858203172 (1.57082e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946849605451 (8.00572e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.073946845244535 (4.06064e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.073946841825839 (3.1833e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946838239423 (3.33947e-07% change) large trace change predicted (7.25145e-07%) linmin: converged after 2 iterations. iteration 88: trace = 1.073946830451703 (7.25149e-07% change) large trace change predicted (1.47812e-06%) linmin: converged after 3 iterations. iteration 89: trace = 1.07394681457754 (1.47811e-06% change) large trace change predicted (4.35916e-06%) linmin: converged after 3 iterations. iteration 90: trace = 1.073946767763243 (4.35909e-06% change) linmin: converged after 6 iterations. iteration 91: trace = 1.073946679390711 (8.22876e-06% change) linmin: converged after 5 iterations. iteration 92: trace = 1.073946529812338 (1.39279e-05% change) linmin: converged after 4 iterations. iteration 93: trace = 1.073946367171185 (1.51443e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946257407568 (1.02206e-05% change) linmin: converged after 6 iterations. iteration 95: trace = 1.073946151545266 (9.85732e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946054818798 (9.00664e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 1.073945953155978 (9.46629e-06% change) linmin: converged after 4 iterations. iteration 98: trace = 1.073945869448054 (7.79443e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.07394584351915 (2.41436e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 1.073945837384324 (5.71242e-07% change) linmin: converged after 12 iterations. iteration 101: trace = 1.073945836402556 (9.14169e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 1.073945836058364 (3.20493e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 1.073945835877889 (1.68048e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 1.073945835763859 (1.06179e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.073945835716398 (4.41928e-09% change) linmin: converged after 13 iterations. iteration 106: trace = 1.073945835701636 (1.37453e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696779 (4.52237e-10% change) linmin: converged after 4 iterations. iteration 108: trace = 1.07394583569437 (2.24351e-10% change) linmin: converged after 6 iterations. iteration 109: trace = 1.07394583569268 (1.57403e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945835691517 (1.08237e-10% change) linmin: converged after 5 iterations. iteration 111: trace = 1.07394583569078 (6.86223e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 3.9534361362457275 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863489166025 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777889169 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697297892 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255674944 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.075035171633364 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695809301 (0.00739313% change) linmin: converged after 4 iterations. iteration 7: trace = 1.07489605883594 (0.00554801% change) linmin: converged after 4 iterations. iteration 8: trace = 1.074864563423128 (0.00293013% change) linmin: converged after 5 iterations. iteration 9: trace = 1.074852338397222 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012935747 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426022177 (5.46042e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.074849271402911 (1.43852e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 1.074849229285486 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.07484921515893 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211822263 (3.10431e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210712549 (1.03244e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209939137 (7.19554e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.07484920899863 (8.75012e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207754069 (1.15789e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206696967 (9.83489e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205556065 (1.06145e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.0748492035529 (1.86367e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200230015 (3.09149e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195270009 (4.61461e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189773816 (5.11346e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181219709 (7.95843e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167021539 (1.32095e-06% change) linmin: converged after 12 iterations. iteration 28: trace = 1.074849153566711 (1.25179e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.074849145742532 (7.27933e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 1.074849142292278 (3.20999e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 1.074849140247115 (1.90274e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.074849138714343 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906287 (7.51786e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608586 (2.7697e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533787 (6.95903e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849137516842 (1.57647e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512894 (3.67303e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849137511866 (9.56062e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 1.8515281677246094 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946587837 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337827335 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.07363883942281 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825191697 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827433216 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993282548 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691951273 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.072393266676861 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.072363251685358 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631908672 (0.000803815% change) linmin: converged after 4 iterations. iteration 11: trace = 1.07235031173053 (0.000402869% change) linmin: converged after 4 iterations. iteration 12: trace = 1.072348215276917 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360440383 (7.97164e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.072346902127674 (4.27392e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.072346623489257 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159280731 (4.3289e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068895395 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995663251 (0.000193336% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072339903833678 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586513752 (0.000309354% change) linmin: converged after 5 iterations. iteration 21: trace = 1.072331067852559 (0.00051464% change) linmin: converged after 12 iterations. iteration 22: trace = 1.07232082224874 (0.000955456% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842031804 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271288352 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170566614 (0.000289166% change) linmin: converged after 5 iterations. iteration 26: trace = 1.07229631160737 (8.01046e-05% change) linmin: converged after 3 iterations. iteration 27: trace = 1.072296078653704 (2.17247e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 1.072296014169084 (6.0137e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 1.072295982383894 (2.96422e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 1.072295961925628 (1.90789e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 1.072295950654826 (1.05109e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 1.072295945181243 (5.10455e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 1.072295942506301 (2.49459e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839959 (1.55399e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 1.072295940001969 (7.81491e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939666845 (3.1253e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939534832 (1.23112e-08% change) linmin: converged after 4 iterations. iteration 38: trace = 1.072295939490039 (4.17735e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939476125 (1.29761e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471619 (4.20174e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939469082 (2.36644e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464804 (3.98907e-10% change) large trace change predicted (1.11433e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452855 (1.11439e-09% change) large trace change predicted (2.5159e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939425879 (2.51566e-09% change) linmin: converged after 2 iterations. iteration 45: trace = 1.072295939386223 (3.69822e-09% change) linmin: converged after 2 iterations. iteration 46: trace = 1.072295939340287 (4.28395e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279321 (5.68559e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 1.072295939194682 (7.89321e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 1.072295939101639 (8.67698e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.072295939034339 (6.27629e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 1.072295939004904 (2.74501e-09% change) linmin: converged after 2 iterations. iteration 52: trace = 1.072295938995437 (8.82839e-10% change) linmin: converged after 8 iterations. iteration 53: trace = 1.072295938992635 (2.61307e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 1.072295938991745 (8.3016e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 1.937209129333496 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218527983 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358198346 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901362837 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512473518 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087284519 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619783167 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.069053139982845 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147986 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651892 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122932 (0.000847767% change) linmin: converged after 6 iterations. iteration 11: trace = 1.068978800309408 (0.000490824% change) linmin: converged after 6 iterations. iteration 12: trace = 1.068976671400506 (0.000199154% change) linmin: converged after 4 iterations. iteration 13: trace = 1.068976061675591 (5.70382e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.06897583550329 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616362 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300797 (5.73592e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 1.068975611585366 (7.45718e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.068975504394299 (1.00275e-05% change) linmin: converged after 13 iterations. iteration 19: trace = 1.068975371946325 (1.23902e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.068975238400322 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.068975009008173 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 3 iterations. iteration 22: trace = 1.068974441379304 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 4 iterations. iteration 23: trace = 1.068973230352039 (0.000113289% change) linmin: converged after 5 iterations. iteration 24: trace = 1.068971612251608 (0.00015137% change) linmin: converged after 5 iterations. iteration 25: trace = 1.068970673721805 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296061886 (3.53293e-05% change) linmin: converged after 6 iterations. iteration 27: trace = 1.068970144206111 (1.42058e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.068970064617454 (7.44536e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.068970000607646 (5.98799e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 1.068969962460874 (3.56855e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599876 (1.57731e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463746 (6.67571e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705123 (3.51612e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325579 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392081 (8.73269e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 1.068969931132229 (2.43086e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062232 (6.54803e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043935 (1.71168e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.068969931038529 (5.05732e-10% change) linmin: converged after 4 iterations. iteration 40: trace = 1.068969931036688 (1.7224e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.068969931035932 (7.0645e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 1.2917921543121338 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.072100871024426 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625138654 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623565883 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067875371535514 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421649077 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514091835 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840009085 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016813591 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593723996 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587630756 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443671989249 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721209856 (0.000276694% change) linmin: converged after 6 iterations. iteration 13: trace = 1.066439849476886 (8.17423e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.06643937521581 (4.44714e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 1.06643900991315 (3.42544e-05% change) linmin: converged after 15 iterations. iteration 16: trace = 1.066438547190448 (4.33895e-05% change) linmin: converged after 28 iterations. iteration 17: trace = 1.066438083368052 (4.34927e-05% change) linmin: converged after 9 iterations. iteration 18: trace = 1.066437660391543 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091975942 (5.33004e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 1.066436003239925 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 4 iterations. iteration 21: trace = 1.066433060997645 (0.000275895% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934757868 (0.000480691% change) linmin: converged after 7 iterations. iteration 23: trace = 1.066424326682659 (0.000338333% change) linmin: converged after 4 iterations. iteration 24: trace = 1.066422960610403 (0.000128098% change) linmin: converged after 5 iterations. iteration 25: trace = 1.066422499818444 (4.32091e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186806298 (2.93516e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 1.066421890525683 (2.77827e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685762249 (1.9201e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 1.066421590549418 (8.92825e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709101 (3.07949e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618902 (1.32126e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537041113 (6.16809e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.066421533956516 (2.89247e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532546077 (1.32259e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098717 (4.19497e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981085 (1.10305e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947892 (3.11254e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.066421531934605 (1.24596e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.066421531923771 (1.01596e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.066421531913925 (9.23286e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421531908643 (4.95239e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421531906792 (1.73568e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.066421531906215 (5.4115e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 1.4189248085021973 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773517283 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570016323 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947032433 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964031712 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396924425 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989611907 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335040688 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062395871 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443685091 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784324555 (0.000343696% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064703064035971 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652723331 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064701182179096 (4.41949e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064700943594472 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802684001 (1.32347e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694069375 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636597499 (5.39794e-06% change) linmin: converged after 25 iterations. iteration 18: trace = 1.064700617106672 (1.83064e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610382852 (6.31522e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607854411 (2.37479e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.06470060562521 (2.09374e-07% change) large trace change predicted (4.79882e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600515903 (4.79882e-07% change) large trace change predicted (1.42402e-06%) linmin: converged after 13 iterations. iteration 23: trace = 1.064700585354427 (1.42401e-06% change) large trace change predicted (2.97926e-06%) linmin: converged after 5 iterations. iteration 24: trace = 1.064700553634686 (2.97922e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.064700526783416 (2.52196e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508728921 (1.69573e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490072117 (1.75231e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.064700466707731 (2.19446e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.064700446691931 (1.87995e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159568 (8.01386e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712853 (3.23726e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 1.064700432935421 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874729 (9.96235e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.064700431313319 (5.27293e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122881 (1.78866e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.0647004310692 (5.04185e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.064700431049594 (1.84142e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037446 (1.14105e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.064700431026594 (1.01921e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 1.064700431020413 (5.80586e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.064700431018622 (1.68217e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.064700431018222 (3.75392e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 1.0629968643188477 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.071021350271712 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626728359 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244995034 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593292509 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544128017918 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659769025 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318759114 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510645627 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170327417 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512607851 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557376492 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856820385 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821698538 (0.000190995% change) linmin: converged after 5 iterations. iteration 14: trace = 1.065533865900442 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310020534 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898653379 (3.86067e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.065532683287075 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.06553256280756 (1.1307e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065532411961938 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110061952 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537843741 (5.37026e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957315538 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503265721 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848652588 (6.14354e-05% change) large trace change predicted (0.000173392%) linmin: converged after 12 iterations. iteration 25: trace = 1.065528002355376 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574745304 (0.000884787% change) large trace change predicted (0.00393926%) linmin: converged after 7 iterations. iteration 27: trace = 1.065486645946716 (0.0029966% change) linmin: converged after 6 iterations. iteration 28: trace = 1.065452554332862 (0.00319968% change) linmin: converged after 5 iterations. iteration 29: trace = 1.065430694088579 (0.00205175% change) linmin: converged after 5 iterations. iteration 30: trace = 1.065419520891761 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511953609 (0.000657859% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624934138 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106259758 (0.000236405% change) linmin: converged after 3 iterations. iteration 34: trace = 1.06540401724135 (0.000102216% change) linmin: converged after 3 iterations. iteration 35: trace = 1.065403611191838 (3.81123e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441828906 (1.58966e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.065403323933013 (1.10658e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209117076 (1.07768e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 1.065403107367283 (9.55036e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 1.065403054389438 (4.97256e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.06540303601662 (1.72449e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.065403029077157 (6.51346e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 1.065403024645843 (4.15928e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.065403021193648 (3.24027e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018978102 (2.07954e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018007853 (9.10688e-08% change) linmin: converged after 22 iterations. iteration 47: trace = 1.065403017545614 (4.33863e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.06540301707853 (4.3841e-08% change) large trace change predicted (8.98854e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.065403016120881 (8.98861e-08% change) large trace change predicted (2.34696e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013620424 (2.34696e-07% change) large trace change predicted (5.60924e-07%) linmin: converged after 3 iterations. iteration 51: trace = 1.065403007644285 (5.60928e-07% change) linmin: converged after 17 iterations. iteration 52: trace = 1.065402998324742 (8.74743e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.065402986268487 (1.13161e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969179701 (1.60397e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.06540294367545 (2.39386e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 1.065402909803071 (3.1793e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 1.065402880545776 (2.74612e-06% change) linmin: converged after 5 iterations. iteration 58: trace = 1.065402867306801 (1.24263e-06% change) linmin: converged after 2 iterations. iteration 59: trace = 1.065402862589266 (4.42794e-07% change) linmin: converged after 18 iterations. iteration 60: trace = 1.065402860543079 (1.92058e-07% change) linmin: converged after 21 iterations. iteration 61: trace = 1.065402859236148 (1.2267e-07% change) linmin: converged after 8 iterations. iteration 62: trace = 1.065402858140753 (1.02815e-07% change) linmin: converged after 7 iterations. iteration 63: trace = 1.065402857385905 (7.0851e-08% change) linmin: converged after 15 iterations. iteration 64: trace = 1.065402857037163 (3.27333e-08% change) linmin: converged after 2 iterations. iteration 65: trace = 1.065402856879937 (1.47574e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.065402856783456 (9.05581e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 1.065402856698853 (7.94096e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 1.065402856628601 (6.5939e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.065402856591364 (3.49516e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578426 (1.21439e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572651 (5.42042e-10% change) linmin: converged after 2 iterations. iteration 72: trace = 1.065402856570892 (1.65043e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570115 (7.29657e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 3.1249194145202637 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652985521115 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445113618953 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314063597716 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800077485192 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864884502563 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077146248 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.05859016714217 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293419105 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.05804436980615 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196406392 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.05773329898988 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.057686886057292 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718264083 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094499194 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169310527 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843558142 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897777738 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493139056 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.057547622004204 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.057546213279896 (0.000133207% change) linmin: converged after 5 iterations. iteration 21: trace = 1.057545647266086 (5.35214e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 1.057545445060935 (1.91202e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057545346459628 (9.3236e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057545294682099 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741685 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910963 (8.35021e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634152 (2.15292e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259834008 (7.56605e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398539 (4.11773e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.057545259108196 (2.74544e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 1.057545258933654 (1.65045e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.057545258873735 (5.66589e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854841 (1.78653e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 1.057545258846103 (8.26244e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.057545258839645 (6.10654e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833263 (6.03537e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.057545258828684 (4.32963e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.0575452588261 (2.44354e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.057545258824427 (1.58228e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 1.057545258822974 (1.37378e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821919 (9.97111e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 2.4051923751831055 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264383684615 (0.453576% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266104294 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550828534 (0.0448514% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507881538 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772275239 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455325765 (0.00670447% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914208244 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582044614 (0.00041308% change) linmin: converged after 5 iterations. iteration 9: trace = 1.048741973643066 (0.000248717% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250629287 (0.000164294% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772936661 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138350173 (6.05095e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951017 (1.78627e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879513108 (6.81809e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847274542 (3.07403e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823439022 (2.27278e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805840764 (1.67804e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790464284 (1.46619e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.048737774171444 (1.55357e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.048737760565606 (1.29735e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.048737751887198 (8.2751e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 1.048737748310937 (3.41006e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.048737746988564 (1.26092e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.048737746414586 (5.47304e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162662 (2.40216e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.048737746020624 (1.35437e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.048737745965865 (5.22136e-09% change) linmin: converged after 5 iterations. iteration 28: trace = 1.048737745951459 (1.37365e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.048737745947924 (3.37046e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737745947219 (6.72864e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.9058423042297363 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320366929 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363677 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155641 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278532895 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545278 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330373 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368534 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612326 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.042062887047388 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967603 (0.000302293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.042056939339039 (0.000268471% change) linmin: converged after 6 iterations. iteration 12: trace = 1.042055775662484 (0.000111671% change) linmin: converged after 4 iterations. iteration 13: trace = 1.04205545769915 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980317 (9.76137e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.04205532229387 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.042055302547829 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398346 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.04205526563002 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138575 (2.3503e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.042055220583107 (1.97259e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.042055207018134 (1.30175e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 1.042055201090033 (5.68886e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 1.042055199094492 (1.915e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 1.042055198377254 (6.88291e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04205519812517 (2.41911e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.042055197991545 (1.28232e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924897 (6.3958e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.042055197900921 (2.30079e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.042055197891541 (9.00192e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 1.042055197887334 (4.03708e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 1.042055197884504 (2.71575e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.042055197882748 (1.68485e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.042055197882127 (5.96633e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 1.8517298698425293 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142629 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444583 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.03950165624018 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296768 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.03940255098367 (0.00270308% change) linmin: converged after 4 iterations. iteration 6: trace = 1.039389236782823 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080347 (0.00109649% change) linmin: converged after 5 iterations. iteration 8: trace = 1.039372508607878 (0.00051295% change) linmin: converged after 12 iterations. iteration 9: trace = 1.039365669584126 (0.000657998% change) linmin: converged after 18 iterations. iteration 10: trace = 1.039358797682202 (0.000661165% change) linmin: converged after 5 iterations. iteration 11: trace = 1.0393515220337 (0.000700016% change) linmin: converged after 4 iterations. iteration 12: trace = 1.039347743030284 (0.000363593% change) linmin: converged after 5 iterations. iteration 13: trace = 1.039346603568458 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252827005 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663311 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166356 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762966 (4.27224e-06% change) linmin: converged after 7 iterations. iteration 18: trace = 1.039346002477118 (5.22308e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.039345931774668 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606863 (6.55872e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 1.039345797360597 (6.37384e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.039345749422771 (4.61231e-06% change) linmin: converged after 12 iterations. iteration 23: trace = 1.039345724079958 (2.43834e-06% change) linmin: converged after 12 iterations. iteration 24: trace = 1.039345709972815 (1.35731e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 1.039345701605024 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151121 (6.20958e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963405 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283835 (4.66847e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 1.039345690103322 (1.7368e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.03934569003378 (6.69091e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011565 (2.13739e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005521 (5.81546e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.039345690002444 (2.95997e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 1.039345689999082 (3.23471e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.039345689993936 (4.95151e-10% change) linmin: converged after 13 iterations. iteration 37: trace = 1.039345689988243 (5.47706e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 1.039345689985422 (2.71471e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984558 (8.31055e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 1.316781997680664 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161723175 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242542088 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793085292 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147669874 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655684704 (0.00187129% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041610029147405 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 4 iterations. iteration 7: trace = 1.041583957216514 (0.00250307% change) linmin: converged after 5 iterations. iteration 8: trace = 1.041547309524309 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 5 iterations. iteration 9: trace = 1.041457030685399 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060957172 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698684059 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.04100977294415 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951209109 (0.00757195% change) linmin: converged after 4 iterations. iteration 14: trace = 1.040898073107338 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096987331 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753403 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294752 (0.000222547% change) linmin: converged after 5 iterations. iteration 18: trace = 1.040880129419227 (0.000166001% change) linmin: converged after 5 iterations. iteration 19: trace = 1.040878846929652 (0.000123212% change) linmin: converged after 5 iterations. iteration 20: trace = 1.040878282104807 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081444 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535602 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823654 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748278 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.040877888402713 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210227 (8.83147e-07% change) linmin: converged after 8 iterations. iteration 27: trace = 1.040877861806185 (1.67205e-06% change) linmin: converged after 19 iterations. iteration 28: trace = 1.040877831116791 (2.94841e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 1.040877780705245 (4.84318e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 1.040877720799256 (5.75533e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373168 (5.22886e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834721 (2.83784e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021477 (8.46713e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968444 (2.93313e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.040877623448759 (1.46e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408058 (9.99831e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570063 (8.05085e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105908 (4.45927e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899607 (1.98199e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810216 (8.58806e-09% change) linmin: converged after 2 iterations. iteration 41: trace = 1.040877620768336 (4.02349e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 1.040877620742629 (2.46976e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.040877620722432 (1.94036e-09% change) linmin: converged after 3 iterations. iteration 44: trace = 1.040877620697838 (2.3628e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.040877620655487 (4.06878e-09% change) large trace change predicted (8.31571e-09%) linmin: converged after 13 iterations. iteration 46: trace = 1.040877620568927 (8.31611e-09% change) linmin: converged after 3 iterations. iteration 47: trace = 1.040877620412679 (1.50111e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.04087762026093 (1.4579e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187651 (7.04011e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163346 (2.33507e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156023 (7.03523e-10% change) linmin: converged after 11 iterations. iteration 52: trace = 1.040877620153324 (2.59253e-10% change) linmin: converged after 6 iterations. iteration 53: trace = 1.040877620151853 (1.41306e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.040877620150955 (8.63324e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 2.607757091522217 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.394551078959051 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39676580140805706 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729715 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254661 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4435551651219799 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898854 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148886 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926985 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.39676580140805706) to band 3 (0.44237076681729715), 10.869497799550704% total elapsed time for run: 59.11142444610596 done /tmp/meep4PaIBY/test_diamond-0: 59.14s /tmp/meep4PaIBY/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.023096084594726562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.01049802134615 (194.322% change) linmin: converged after 11 iterations. iteration 2: trace = 6.706692165729402 (76.4722% change) linmin: converged after 7 iterations. iteration 3: trace = 5.931553794724423 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.66263534197199 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.52737228970616 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.47481726468407 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.45264771076122 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006331453 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735012713 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793409262 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201927889 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964497161 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964014599 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252894501 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096349268 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783206287 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499341883 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004384954 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213011 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232867 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289126 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261726 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258746 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787791 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.414537709366753 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428378 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.41451605909779 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595718 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958566 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.41448635782213 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160106 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675684 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062541 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517078 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896504 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684592 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007637 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361689 (3.81311e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 5.414470762077194 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667651 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127513 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366219 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.414470683200175 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912629 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970523 (9.12759e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695273 (4.20217e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.6245e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454864 (6.66415e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 5.414470666309406 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257172 (9.64723e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225634 (5.82466e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199085 (4.90342e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 5.414470666173619 (4.70329e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149859 (4.38818e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128734 (3.90164e-10% change) linmin: converged after 3 iterations. iteration 57: trace = 5.414470666110477 (3.37196e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093905 (3.06062e-10% change) linmin: converged after 2 iterations. iteration 59: trace = 5.41447066608077 (2.42596e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.41447066607217 (1.58821e-10% change) linmin: converged after 2 iterations. iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.9510183334350586 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200818929 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431263 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235908 (0.116695% change) linmin: converged after 5 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190084 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348899 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265687 (0.00200422% change) linmin: converged after 4 iterations. iteration 8: trace = 5.384707331033515 (0.000650994% change) linmin: converged after 4 iterations. iteration 9: trace = 5.384697125432801 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738826758 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418337 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474321 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290627 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.384693227539163 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.38469322265734 (9.06611e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.384693220298983 (4.37974e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.384693219444982 (1.58598e-08% change) linmin: converged after 17 iterations. iteration 19: trace = 5.384693219150675 (5.46562e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100485 (9.32088e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.384693219085565 (2.77075e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.42246532440185547 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35566270802623 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135070107 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037556 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322681 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34487907677925 (0.0019817% change) linmin: converged after 9 iterations. iteration 6: trace = 5.344849146440742 (0.000559983% change) linmin: converged after 19 iterations. iteration 7: trace = 5.34483511527354 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084553 (9.83976e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.344828194804125 (3.1082e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.344827781913664 (7.72505e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.344827673972557 (2.01954e-06% change) linmin: converged after 21 iterations. iteration 12: trace = 5.344827628371221 (8.53186e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.344827617785631 (1.98053e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.34482761452396 (6.10248e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.344827613901648 (1.16433e-08% change) linmin: converged after 21 iterations. iteration 16: trace = 5.344827613761418 (2.62366e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731027 (5.68602e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.344827613719941 (2.0742e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.39254188537597656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320228623 (0.319238% change) linmin: converged after 4 iterations. iteration 2: trace = 5.334738355255368 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064889 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678919415 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662876 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911257 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504841 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683702 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811759 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203948 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551382 (9.65546e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.33253879005739 (3.8432e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.332538782348803 (1.44558e-07% change) linmin: converged after 10 iterations. iteration 14: trace = 5.332538778533806 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162949 (2.57074e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.332538776747995 (7.78154e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.332538776643066 (1.96772e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.332538776603643 (7.39286e-10% change) linmin: converged after 10 iterations. iteration 19: trace = 5.332538776587452 (3.03636e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581439 (1.1276e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.3984413146972656 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432905374 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965977621 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997915648 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701732656 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.35244060041008 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036305 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551878 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977461 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189612 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103699549 (8.28542e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.352153672779482 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741616 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750048 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938056 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468188 (9.42983e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.35215166667883 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664977 (9.36792e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.352151659840975 (3.40798e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337842 (9.40057e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154266 (3.42994e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.352151659081804 (1.35389e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049174 (6.09659e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.352151659038404 (2.01245e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.46904754638671875 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214229959 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985706 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869996253 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420765395 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128031257 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882425 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031413 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.37889937435071 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794505 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.37828958778363 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343272 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790497 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090194 (0.000149803% change) linmin: converged after 6 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.378205626014852 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.04709e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912397 (7.29539e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 5.37820500815002 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382009 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047543 (9.91867e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92649e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 5.378204989224101 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266803 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.37820498656018 (1.31386e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365549 (3.61887e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.378204986298534 (1.24606e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.378204986252792 (8.50508e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.378204986222929 (5.55247e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206846 (2.99043e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199396 (1.38523e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.6006770133972168 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784633 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123341276 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234196242 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119419701 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824738639 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018594 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590569 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052751 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428567 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890289 (0.000117924% change) linmin: converged after 10 iterations. iteration 11: trace = 5.280992817488505 (4.23103e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814334 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376507 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857134 (2.18129e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887277 (5.62367e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662335 (2.31953e-08% change) linmin: converged after 23 iterations. iteration 18: trace = 5.280991715170661 (9.31026e-09% change) linmin: converged after 22 iterations. iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863477 (1.30035e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843207 (3.8383e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.280991714835504 (1.45866e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829537 (1.12986e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.280991714822687 (1.29704e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.5331177711486816 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281906492 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367543085 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185049 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238861 (0.0119774% change) linmin: converged after 4 iterations. iteration 5: trace = 5.121558726682936 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069775 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.12144790474088 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676669 (0.000159839% change) linmin: converged after 4 iterations. iteration 9: trace = 5.121437287250297 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075807 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510688 (5.77282e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.121436680112647 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590913 (2.9713e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180303 (8.01748e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101739 (1.53402e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.121436678082406 (3.77491e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.121436678073879 (1.66504e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.121436678060035 (2.70315e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.121436678042874 (3.35072e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033494 (1.83153e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.5019104480743408 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457364 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392892 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263473 (0.0144763% change) linmin: converged after 5 iterations. iteration 4: trace = 4.989343647120124 (0.00341051% change) linmin: converged after 4 iterations. iteration 5: trace = 4.989291241669541 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813457 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671144 (0.000129421% change) linmin: converged after 5 iterations. iteration 8: trace = 4.98926609792218 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082192 (9.89805e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 22 iterations. iteration 11: trace = 4.989265501206935 (2.88507e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.989265496708835 (9.01555e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.98926549570401 (2.01397e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.989265495448889 (5.1134e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.989265495393171 (1.11674e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383629 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.460590124130249 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536841025 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118930467 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641576844 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816819474 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084888643 (0.000504113% change) linmin: converged after 10 iterations. iteration 6: trace = 4.906007389591607 (0.000116088% change) linmin: converged after 8 iterations. iteration 7: trace = 4.906005834953523 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.90600540669845 (8.7292e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.906005254385182 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417475 (7.73903e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418547 (1.4266e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803108 (5.3311e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252122 (1.12309e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.906005206142122 (2.24213e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.906005206125057 (3.47848e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.40530920028686523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825183426 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626562295 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752868415 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496193 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932667065 (0.000381777% change) linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735272 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798983 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093846 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075415 (5.33408e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591743 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.877776571775751 (6.04136e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.877776571718369 (1.17639e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.877776571708921 (1.93704e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.40914011001586914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026459 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880217 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362583 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668674 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539691 (0.00115393% change) linmin: converged after 6 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844876 (1.02794e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751458 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.9335412103081 (8.98661e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 4.93354121023129 (1.55689e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.3692896366119385 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162946 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310536 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827630135 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562912054 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938952485 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324287 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856582 (0.000915511% change) linmin: converged after 3 iterations. iteration 8: trace = 5.086793518222227 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445181 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.08678920338145 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520231 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806464 (1.05595e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939779 (3.79951e-08% change) linmin: converged after 12 iterations. iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60614e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.086788979319492 (4.74349e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.086788979306892 (2.47712e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.086788979301441 (1.07155e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.5113956928253174 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730185 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324416 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134918 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219365082 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518648 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149918 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537593 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.26332510873088 (0.00274585% change) linmin: converged after 5 iterations. iteration 9: trace = 5.263272539866877 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021764 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625345 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031204 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248045 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.263256521693534 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415704 (3.65701e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.263256512765325 (1.2357e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.26325651252615 (4.54425e-09% change) linmin: converged after 22 iterations. iteration 21: trace = 5.26325651238184 (2.74183e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.263256512320006 (1.17483e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.263256512296805 (4.40811e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17299e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.6821768283843994 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204125079 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224940516 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703686881 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157761086 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623244995 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245416 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967477 (0.00155035% change) linmin: converged after 5 iterations. iteration 8: trace = 5.362962308859946 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.36292814899808 (0.000636961% change) linmin: converged after 4 iterations. iteration 10: trace = 5.362908167195258 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.36289744556306 (0.000199922% change) linmin: converged after 14 iterations. iteration 12: trace = 5.362890832294543 (0.000123315% change) linmin: converged after 8 iterations. iteration 13: trace = 5.362888873060136 (3.65332e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.362888159902967 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137225 (4.19113e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.362887877004606 (1.08398e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.362887858604021 (3.4311e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988768 (1.23352e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 5.362887849877557 (3.93671e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213481 (1.23828e-08% change) linmin: converged after 18 iterations. iteration 21: trace = 5.362887849013017 (3.73798e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.362887848952664 (1.12538e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922157 (5.68857e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904121 (3.36316e-10% change) linmin: converged after 23 iterations. iteration 25: trace = 5.362887848892485 (2.16973e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.3628878488858 (1.24659e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.5289285182952881 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864438431 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145074271 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497820124 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175353642 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680944066 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295312798 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176172479 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244036304 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483994404 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265048869 (0.000336479% change) linmin: converged after 4 iterations. iteration 11: trace = 5.414564861067752 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419969368 (0.000174365% change) linmin: converged after 22 iterations. iteration 13: trace = 5.414537376508164 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055299978 (0.000680088% change) linmin: converged after 6 iterations. iteration 15: trace = 5.414478702493852 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543198 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541875 (2.58197e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 5.414470844198777 (8.98228e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.414470719354939 (2.30574e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611987 (5.298e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661462 (1.75553e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362716 (5.51755e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267754 (1.75386e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.414470666221952 (8.45911e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193717 (5.21476e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171711 (4.0642e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.414470666155404 (3.01174e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140545 (2.74435e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39624e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.414470666102801 (3.57471e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086897 (2.93726e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.414470666075439 (2.11625e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470666069086 (1.17336e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.10902047157287598 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% total elapsed time for run: 7.769447088241577 done /tmp/meep4PaIBY/test_epsilon_input_file-0: 7.77s /tmp/meep4PaIBY/test_first_brillouin_zone-0 ======================== /tmp/meep4PaIBY/test_first_brillouin_zone-0: 0.67s /tmp/meep4PaIBY/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00021409988403320312 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.48114237152929 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 55.7692%) iteration 3: trace = 83.3461110942816 (0.603338% change) switching back to exact line minimization iteration 4: trace = 83.3335997859713 (0.0150124% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 55.3571%) iteration 5: trace = 83.33333949083101 (0.000312354% change) iteration 6: trace = 83.33333352467446 (7.15939e-06% change) iteration 7: trace = 83.33333333657133 (2.25724e-07% change) iteration 8: trace = 83.33333333338308 (3.8259e-09% change) iteration 9: trace = 83.33333333333447 (5.83384e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.03718709945678711 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 82.33333333334657 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54996e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.00069427490234375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.84479e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.0001614093780517578 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0001537799835205078 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 58.3333%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00017762184143066406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 43 iterations. iteration 1: trace = 91.66666666666667 (4.65083e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0003745555877685547 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 66.6667%) iteration 1: trace = 90.66666666672047 (3.571% change) iteration 2: trace = 90.66666699924725 (3.66757e-07% change) iteration 3: trace = 90.66666666666711 (3.66816e-07% change) iteration 4: trace = 90.66666666666673 (4.23191e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.0003349781036376953 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.0001518726348876953 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.00015211105346679688 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 37 iterations. iteration 1: trace = 95.66666666666667 (1.48546e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.0003294944763183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.1127%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.000171661376953125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 37 iterations. iteration 1: trace = 91.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.0003337860107421875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 85.33333333333331 (6.66134e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0001685619354248047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 43 iterations. iteration 1: trace = 82.00000000000003 (3.46606e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.028534889221191406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 53 iterations. switching to approximate line minimization (decrease time by 87.1875%) iteration 1: trace = 81.33333333333331 (3.49447e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0004527568817138672 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 83.33333333333331 (3.41061e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0001652240753173828 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740652 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481295 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193174 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109064 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876381 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.5643546458763815 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364734 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638631 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.07021856307983398 done /tmp/meep4PaIBY/test_fractional_lattice-0: 0.07s /tmp/meep4PaIBY/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014581680297851562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.2883942127227783 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.958505630493164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5770542621612549 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5255663394927979 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6063880920410156 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.8605153560638428 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6049544811248779 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5708775520324707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.44932103157043457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.44780540466308594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.11204910278320312 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.061684608459472656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07689428329467773 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1172323226928711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.16425538063049316 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.311204195022583 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 9.735343933105469 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meep4PaIBY/test_get_bfield-0: 9.76s /tmp/meep4PaIBY/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013349056243896484 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6437795162200928 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.4100914001464844 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5405488014221191 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.47966957092285156 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6228475570678711 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.8818531036376953 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6535701751708984 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5202643871307373 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.47730398178100586 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.46571898460388184 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.48160815238952637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3803982734680176 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.39461445808410645 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.3732340335845947 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.5562725067138672 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.014969825744629 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 10.89926028251648 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 ./tmp/meep4PaIBY/test_get_dfield-0: 10.93s /tmp/meep4PaIBY/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001348733901977539 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6477553844451904 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.9440152645111084 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5215146541595459 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.38145017623901367 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.48542022705078125 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.8564202785491943 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6455774307250977 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5305607318878174 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.47025132179260254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.3767244815826416 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2441847324371338 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.30100202560424805 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3324398994445801 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.47440457344055176 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.5325689315795898 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.000540018081665 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 9.763427734375 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meep4PaIBY/test_get_efield-0: 9.78s /tmp/meep4PaIBY/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013349056243896484 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5475656986236572 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 5.581244026696292 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490351 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957673 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526859 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966758 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299268 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.56798196012209 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766411 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393766 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003681 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969306 (5.15562e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.56740877689189 (2.19272e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.56740870472469 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925265 (1.58052e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 5.567408689562832 (1.1428e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567408680883109 (1.55902e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567408666017922 (2.67004e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087862 (3.75939e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 5.567408614757096 (5.44791e-07% change) large trace change predicted (2.01092e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502816416 (2.01064e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934835523604 (0.00850822% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934530343008 (5.48202e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934225147977 (5.48228e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 5.566933920036067 (5.48079e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693361509334 (5.47775e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.56693331039379 (5.47338e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933006000246 (5.46789e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.566932701965428 (5.46144e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 5.566932398332735 (5.45422e-06% change) linmin: converged after 8 iterations. iteration 36: trace = 5.566932095137195 (5.44637e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 5.566931792406258 (5.43802e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931490160487 (5.42931e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.566931188414395 (5.42033e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 5.566930887176978 (5.41119e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930586452395 (5.40198e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930286240471 (5.39277e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.566929986537181 (5.38364e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929687335154 (5.37463e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692938862407 (5.36581e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929090391031 (5.35723e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.56692879262083 (5.34891e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928495296353 (5.34091e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928198378974 (5.33359e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 5.566927901887999 (5.32594e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927605763643 (5.31935e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 5.566927310020358 (5.3125e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927014600721 (5.30669e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.566926719511573 (5.30075e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.566926424712653 (5.29554e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926130166101 (5.29101e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.566925835871702 (5.28648e-06% change) linmin: converged after 9 iterations. iteration 58: trace = 5.566925541790937 (5.28264e-06% change) linmin: converged after 10 iterations. iteration 59: trace = 5.566925247897712 (5.27927e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924954156915 (5.27654e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924660552115 (5.27409e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924367064406 (5.27199e-06% change) linmin: converged after 11 iterations. iteration 63: trace = 5.566924073659454 (5.2705e-06% change) linmin: converged after 12 iterations. iteration 64: trace = 5.566923780311137 (5.26949e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923486988138 (5.26903e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923193675325 (5.26885e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922900337394 (5.2693e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922606953678 (5.27012e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 5.566922313501016 (5.27136e-06% change) resetting CG direction... large trace change predicted (0.0754154%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718699289037 (0.0755391% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516817389784 (0.0575762% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793179139252 (0.0490026% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012045602661 (0.0500618% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007094045905 (0.0361057% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549057842941 (0.0262649% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458397204102 (0.0196515% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474953700598 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115187955224 (0.02451% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236368598172 (0.0338759% change) linmin: converged after 9 iterations. iteration 80: trace = 5.543229142567636 (0.0362039% change) linmin: converged after 10 iterations. iteration 81: trace = 5.541884517727373 (0.02426% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240187846709 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832178757127 (0.00736341% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632129926411 (0.00361051% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551229245906 (0.00146015% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984637142 (0.000600025% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595613592 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181743341 (7.96655e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522107331 (2.99546e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500790404958 (1.32064e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500268932853 (9.412e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499832064119 (7.88501e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499529384537 (5.46304e-06% change) linmin: converged after 8 iterations. iteration 94: trace = 5.540499207175216 (5.81553e-06% change) linmin: converged after 10 iterations. iteration 95: trace = 5.540498785286145 (7.61464e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246106514 (9.73161e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716467954 (9.5594e-06% change) linmin: converged after 11 iterations. iteration 98: trace = 5.540497530058075 (3.3645e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433477556 (1.74317e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373258972 (1.08688e-06% change) linmin: converged after 19 iterations. iteration 101: trace = 5.540497321020577 (9.42847e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282526125 (6.94783e-07% change) linmin: converged after 19 iterations. iteration 103: trace = 5.540497260437016 (3.98685e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241875 (1.84011e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245841268 (7.94262e-08% change) linmin: converged after 22 iterations. iteration 106: trace = 5.540497244298022 (2.78539e-08% change) linmin: converged after 20 iterations. iteration 107: trace = 5.54049724357753 (1.30041e-08% change) linmin: converged after 17 iterations. iteration 108: trace = 5.540497243251986 (5.87572e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063252 (3.40644e-09% change) linmin: converged after 15 iterations. iteration 110: trace = 5.5404972429578 (1.9033e-09% change) linmin: converged after 9 iterations. iteration 111: trace = 5.540497242914308 (7.84973e-10% change) linmin: converged after 5 iterations. iteration 112: trace = 5.54049724287935 (6.30967e-10% change) linmin: converged after 7 iterations. iteration 113: trace = 5.540497242844003 (6.37972e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790192 (9.71234e-10% change) linmin: converged after 8 iterations. iteration 115: trace = 5.540497242723097 (1.21099e-09% change) linmin: converged after 5 iterations. iteration 116: trace = 5.5404972426584 (1.16771e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 5.540497242618865 (7.13573e-10% change) linmin: converged after 9 iterations. iteration 118: trace = 5.540497242597718 (3.81674e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587055 (1.92464e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581504 (1.00176e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.7719604969024658 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081904197 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029238665 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032114 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774016 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600184 (0.00664425% change) linmin: converged after 4 iterations. iteration 6: trace = 5.499421768472725 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071745 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903555 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644882 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354394 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158939 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065395 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510659 (2.44673e-06% change) linmin: converged after 25 iterations. iteration 14: trace = 5.499374968565679 (8.71826e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.499374947904288 (8.69223e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.499374946845077 (1.92606e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.499374946585432 (4.72137e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 5.499374946459587 (2.28835e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.499374946407666 (9.44128e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.499374946373184 (6.27012e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.499374946309959 (6.06953e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288361 (3.92733e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55853e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.4659724235534668 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070073415 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187258 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.48705611194667 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972764 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583154 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149402 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235695 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.48546977263449 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450177 (0.000140848% change) linmin: converged after 5 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302667 (1.14345e-05% change) linmin: converged after 26 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.485459100856722 (4.07767e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 5.485459090161544 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892637 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.25869e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.48545908063929 (1.67216e-08% change) linmin: converged after 22 iterations. iteration 19: trace = 5.485459080258169 (6.94786e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162864 (1.73741e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117765 (8.2214e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.485459080098437 (3.5236e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.43894481658935547 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686845 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601550851 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987764577 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809282725 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433401 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667397 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728544 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831476 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534786 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715216 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385450914 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323706 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496819 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098138 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759298 (8.49034e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.504362167575552 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222023 (3.57677e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.504362095716725 (1.18184e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490904 (4.04374e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750774 (1.34463e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 5.504362092362593 (7.05224e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.504362092126029 (4.29775e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030187 (1.74121e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995301 (6.33786e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.504362091984241 (2.00924e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.4693896770477295 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373816362 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619856 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373176 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177978 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180043 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600309 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565389 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740501 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685004 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443202 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714559 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259601 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189773 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693475 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652964 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689267 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647871 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294862 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327792 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295133 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344394 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767222 (3.18797e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.53886739246091 (2.49701e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282535859 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565556 (1.55213e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786442 (1.60284e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688868 (2.11411e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904155147 (1.5623e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 5.538866877341245 (4.84104e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.538866871036468 (1.13828e-07% change) linmin: converged after 5 iterations. iteration 32: trace = 5.53886686954973 (2.68419e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090199 (8.29648e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868884011 (3.72257e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762681 (2.19051e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 5.53886686869315 (1.25533e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641546 (9.31672e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615201 (4.75641e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605639 (1.72637e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600092 (1.00141e-10% change) linmin: converged after 21 iterations. iteration 41: trace = 5.538866868590822 (1.67361e-10% change) linmin: converged after 5 iterations. iteration 42: trace = 5.538866868573498 (3.1277e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559324 (2.55909e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.710862398147583 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033777615 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081945518 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780923792 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922754058 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.42156545108918 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871733 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757032539 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600301 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792744 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109974 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680911 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901301 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.41979814967787 (1.5395e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 5.419797850965186 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322768 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546705 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573499 (1.84014e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608417 (5.47084e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734088984 (2.80349e-08% change) linmin: converged after 21 iterations. iteration 21: trace = 5.419797733507753 (1.07242e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.419797733261658 (4.54066e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 5.419797733151182 (2.0384e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102891 (8.90997e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077007 (4.77586e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054168 (4.21409e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031984 (4.09298e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.41979773301672 (2.81638e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797733003427 (2.45274e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963328 (1.94423e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.581493616104126 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098775 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345183182 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588963 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571972 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212872 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880097 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573597 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.24087174159758 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765969 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.240854364699085 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786505 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321847 (1.51625e-06% change) linmin: converged after 10 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.240853949555026 (2.26707e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.240853949031692 (2.81869e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.240853948976929 (1.04493e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.07139e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07549e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.240853948833732 (9.49688e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802545 (5.95067e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778208 (4.6437e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757247 (3.99954e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.24085394874231 (2.85018e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735854 (1.23189e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.49986934661865234 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913334 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052906 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866141 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833586 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.09661672198651 (0.00298415% change) linmin: converged after 5 iterations. iteration 6: trace = 5.096573167031523 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978203 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659975 (2.58582e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.096544274637563 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71732e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16754e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672398 (6.88404e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.92228e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.096544273547274 (1.46285e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.096544273463897 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.39936e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414496 (2.29358e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.4218480587005615 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910328 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962015 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252272 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190485 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503180207 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863524 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138805 (1.98811e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318631 (1.79344e-07% change) linmin: converged after 23 iterations. iteration 14: trace = 5.006436497214725 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812788 (8.02841e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.00643649671343 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632907 (8.13359e-10% change) large trace change predicted (2.20202e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522667 (2.20196e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.006436496410068 (2.24908e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.006436496357244 (1.05513e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.006436496344438 (2.55786e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4223048686981201 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.97899375042192 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350138666 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668872994 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931619 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.97599920536234 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.9759871531917 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125811 (4.0958e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.975984462449321 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964288 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211398 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705353 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802621 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65586e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893696 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819601 (1.48906e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774339 (9.096e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706847 (1.35635e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533269 (3.48832e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426871 (2.13822e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74115e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384496 (1.77476e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4181358814239502 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352593 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251282 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323872 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300829 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34381e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128378 (1.55433e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.036378479954632 (3.44983e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909362 (8.98852e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25238e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.32474374771118164 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329344 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524669 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119654 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347321 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445593 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487764 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181517 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211565 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670577 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.20656674144837 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082134 (9.81452e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507289 (3.02473e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040202 (8.97113e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927631 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29761e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.20656630589373 (1.21356e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.37186098098754883 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756293992 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812739307 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622411479 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356550667 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971023 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855462 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333846 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574961 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939794 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811525 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895446 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907003 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729021 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.417088812132402 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744951 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389878 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680259 (1.054e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 5.417088768321157 (4.35492e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370204 (1.75547e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41708876692841 (8.15556e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 5.417088766554598 (2.33997e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462989 (1.69112e-09% change) linmin: converged after 11 iterations. iteration 27: trace = 5.417088766423705 (7.25189e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412562 (2.05686e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.4156663417816162 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178997475 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902382941 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640711227 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157937 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091515 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860524 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.52292105521615 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667835 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.52254069646597 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191286 (0.00170514% change) linmin: converged after 8 iterations. iteration 12: trace = 5.522358366920831 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118334 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461869 (0.000382933% change) linmin: converged after 5 iterations. iteration 15: trace = 5.522271218168351 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619550511 (4.70571e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 5.52226795829274 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758809014 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563947 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644702 (4.33142e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656938316 (1.93877e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032532 (7.07279e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435404 (4.70301e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 5.522267648929526 (2.72692e-08% change) linmin: converged after 24 iterations. iteration 25: trace = 5.522267648122488 (1.46142e-08% change) linmin: converged after 16 iterations. iteration 26: trace = 5.52226764745812 (1.20307e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 5.5222676462904 (9.63754e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 5.522267645965358 (5.88603e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 5.522267645803391 (2.93299e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679249 (6.79773e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.522267645667601 (2.10936e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.5186264514923096 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.62341534369291 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799225 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640940337 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172742819 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.57161873626484 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107768875 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898397 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656419794 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950425 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401032 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880778756 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664431215 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253315 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283174022 (0.00806656% change) near maximum in trace linmin: converged after 11 iterations. iteration 15: trace = 5.566399673351522 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201605374 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388825232 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784843896 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008468074 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637398427 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630801959 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618236061 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244586609 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586694767 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.554798721104044 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114278892 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036027672 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677030462 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583829627 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970112273 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061024367 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957025719 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590488221 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526820524 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677434417 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325197214 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189085463 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717952991 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390745016765 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430569195 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903540151 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421846708 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461704793 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756741302 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477347372 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231303523 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437749279 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430732277 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300352011 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831719784 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789454556 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392897125 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424469458 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.54907895413011 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214418771 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603435091 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441469369 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438507597 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472344308 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214321412 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940491089 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719124848 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070105016 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460562136 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157925546 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782844302 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723873994 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403346127 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919688256 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976735944 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222550427 (0.00176188% change) linmin: converged after 6 iterations. iteration 72: trace = 5.54818008109459 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793321 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375778253 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673477653 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864895084 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.54813883704804 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943205 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746383531 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320854 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114632 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802893 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253436 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882045 (6.3923e-06% change) linmin: converged after 23 iterations. iteration 85: trace = 5.548117802015849 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686875 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54811772942818 (2.20952e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415589 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 5.548117725372829 (3.89394e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334797 (6.8549e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327034 (1.39916e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.0083723068237305 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% total elapsed time for run: 9.451106071472168 done /tmp/meep4PaIBY/test_get_eigenvectors-0: 9.54s /tmp/meep4PaIBY/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001428365707397461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.638146162033081 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.8599169254302979 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09435534477233887 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.34868717193603516 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5576796531677246 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 3.222012758255005 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 3.6763079166412354 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.7410953044891357 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.40673255920410156 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4763307571411133 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.9714994430541992 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3728015422821045 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3540172576904297 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6113941669464111 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.6649088859558105 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.4205455780029297 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 16.41913366317749 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meep4PaIBY/test_get_hfield-0: 16.44s /tmp/meep4PaIBY/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001451730728149414 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.3349266052246094 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.2682793140411377 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.2737412452697754 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.2626159191131592 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.24707365036010742 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.2547440528869629 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.23571324348449707 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.21549344062805176 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.2089862823486328 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.14673638343811035 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.14086055755615234 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.16382551193237305 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.18357396125793457 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.09586787223815918 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.12743902206420898 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.0968010425567627 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 3.2612714767456055 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meep4PaIBY/test_handle_cvector-0: 3.37s /tmp/meep4PaIBY/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016360282897949219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536735 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460673 (15.3151% change) linmin: converged after 7 iterations. iteration 4: trace = 16.44745357201135 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623871558 (5.44878% change) linmin: converged after 7 iterations. iteration 6: trace = 14.93685931084693 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204412151 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803967394925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475704319461 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718978157 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.08709458939926 (2.69766% change) linmin: converged after 6 iterations. iteration 12: trace = 12.85444591732123 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657797174782 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678333591758 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712739283433 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612913362 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973448619632 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959835156425 (4.30853% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119693999728 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108858104249 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211132700758 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783680320099 (3.49506% change) linmin: converged after 8 iterations. iteration 23: trace = 8.366907716682842 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023293497876 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859506072383 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495003243805 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998958156258 (5.15934% change) linmin: converged after 11 iterations. iteration 28: trace = 6.950727436055764 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207349772075 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378833341418 (1.85597% change) linmin: converged after 8 iterations. iteration 31: trace = 6.387397375407015 (4.22935% change) linmin: converged after 7 iterations. iteration 32: trace = 6.077630099806203 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265457472709 (3.89779% change) linmin: converged after 5 iterations. iteration 34: trace = 5.676181876309078 (2.93511% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824231205664 (2.53983% change) linmin: converged after 10 iterations. iteration 36: trace = 5.376187973974618 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316137410749 (2.10275% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003212054784 (2.42855% change) linmin: converged after 7 iterations. iteration 39: trace = 5.056109268376328 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406354072589 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793792633924 (2.04659% change) linmin: converged after 8 iterations. iteration 42: trace = 4.755591543596198 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669630998346893 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618919953560653 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826347512805 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268796384417 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855897051691 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172815963693 (1.45863% change) linmin: converged after 6 iterations. iteration 49: trace = 4.348894165981942 (1.21765% change) linmin: converged after 6 iterations. iteration 50: trace = 4.277264475657445 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023563650445 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509345171562 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094398066584754 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043134875538 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502571777799 (1.95747% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850088394081112 (1.86332% change) linmin: converged after 7 iterations. iteration 57: trace = 3.791821935313555 (1.52492% change) linmin: converged after 6 iterations. iteration 58: trace = 3.753050708507767 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648814645396 (0.893971% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349243816827 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517698636417 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774923950771 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632257764969 (0.582089% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354313198482 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974738288043 (0.427607% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630801714686 (0.372496% change) linmin: converged after 6 iterations. iteration 67: trace = 3.563562104542054 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359863705462 (0.343004% change) linmin: converged after 6 iterations. iteration 69: trace = 3.539576087021361 (0.332362% change) resetting CG direction... large trace change predicted (2.94865%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405225034667 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606599918429 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178753762374 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511374845806 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.30839581049568 (0.576125% change) linmin: converged after 4 iterations. iteration 75: trace = 3.303101990445036 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500168802517 (0.230407% change) linmin: converged after 4 iterations. iteration 77: trace = 3.28807355346897 (0.22561% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432543666933 (0.202177% change) linmin: converged after 6 iterations. iteration 79: trace = 3.268340966472334 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337195175677 (0.153215% change) large trace change predicted (0.729751%) linmin: converged after 5 iterations. iteration 81: trace = 3.239916775785054 (0.720268% change) linmin: converged after 6 iterations. iteration 82: trace = 3.220325377463571 (0.606522% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541316604321 (0.678751% change) linmin: converged after 4 iterations. iteration 84: trace = 3.177521915924397 (0.659322% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689441282762 (0.59444% change) linmin: converged after 4 iterations. iteration 86: trace = 3.124351619672183 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938154199683 (0.26965% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192470229429 (0.797331% change) linmin: converged after 5 iterations. iteration 89: trace = 3.081043078189253 (0.328872% change) linmin: converged after 8 iterations. iteration 90: trace = 3.068578063540339 (0.405391% change) linmin: converged after 6 iterations. iteration 91: trace = 3.058935697216242 (0.314724% change) linmin: converged after 5 iterations. iteration 92: trace = 3.05180850737605 (0.233267% change) linmin: converged after 3 iterations. iteration 93: trace = 3.039400873174168 (0.407395% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435748683464 (0.0976038% change) large trace change predicted (0.289199%) linmin: converged after 7 iterations. iteration 95: trace = 3.027689317351538 (0.288465% change) linmin: converged after 5 iterations. iteration 96: trace = 3.025436115933095 (0.0744475% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123370988173 (0.109556% change) linmin: converged after 8 iterations. iteration 98: trace = 3.019557672499226 (0.0849333% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617454341009 (0.0642757% change) large trace change predicted (0.199216%) linmin: converged after 6 iterations. iteration 100: trace = 3.011702812029835 (0.196196% change) linmin: converged after 5 iterations. iteration 101: trace = 3.008822242129416 (0.0956917% change) large trace change predicted (0.494575%) linmin: converged after 7 iterations. iteration 102: trace = 2.993101363818678 (0.523861% change) large trace change predicted (2.76676%) linmin: converged after 11 iterations. iteration 103: trace = 2.971607966586401 (0.720685% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426041934485 (0.174533% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962576916432998 (0.129841% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663417317667 (0.0983918% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613910125768 (0.069272% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027948354737 (0.0536374% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446405928148 (0.0535166% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644656961998 (0.0610029% change) linmin: converged after 7 iterations. iteration 111: trace = 2.950800299587361 (0.0624841% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162275119235 (0.0555266% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680347043586 (0.0502617% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946173844337002 (0.0511211% change) linmin: converged after 4 iterations. iteration 115: trace = 2.944665514272482 (0.0512093% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943386753096056 (0.0434358% change) linmin: converged after 8 iterations. iteration 117: trace = 2.942362730441001 (0.0347967% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941372078288963 (0.0336743% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940246560501752 (0.0382724% change) linmin: converged after 6 iterations. iteration 120: trace = 2.939085641698362 (0.0394915% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938048946889208 (0.0352789% change) linmin: converged after 7 iterations. iteration 122: trace = 2.937029634222545 (0.0346995% change) linmin: converged after 4 iterations. iteration 123: trace = 2.93578498323623 (0.0423869% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266526562438 (0.0517357% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753457184486 (0.0515788% change) linmin: converged after 6 iterations. iteration 126: trace = 2.931392951500543 (0.0464008% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045864154609 (0.0459644% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604937066982 (0.0491897% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186353523649 (0.0484506% change) linmin: converged after 5 iterations. iteration 130: trace = 2.92592607553319 (0.0430635% change) linmin: converged after 7 iterations. iteration 131: trace = 2.924738046286078 (0.0406118% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387162526266 (0.0461989% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694777691809 (0.057908% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767635225542 (0.0659815% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917896313499875 (0.064112% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91617931683536 (0.058861% change) linmin: converged after 5 iterations. iteration 137: trace = 2.914507630833452 (0.057341% change) linmin: converged after 5 iterations. iteration 138: trace = 2.912775780152054 (0.0594394% change) linmin: converged after 5 iterations. iteration 139: trace = 2.911010765359506 (0.060614% change) resetting CG direction... large trace change predicted (0.793722%) linmin: converged after 4 iterations. iteration 140: trace = 2.888445434845293 (0.778188% change) large trace change predicted (2.41109%) linmin: converged after 6 iterations. iteration 141: trace = 2.824395301475856 (2.24232% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788318376203819 (1.28554% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760124165776621 (1.01629% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747302232502843 (0.465623% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742808570144592 (0.1637% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559669694309 (0.228088% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734950084071833 (0.0588352% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082394813406 (0.104908% change) linmin: converged after 5 iterations. iteration 149: trace = 2.731340115523151 (0.0271727% change) large trace change predicted (0.066467%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522161691801 (0.0665812% change) linmin: converged after 4 iterations. iteration 151: trace = 2.72891463549496 (0.0222601% change) linmin: converged after 4 iterations. iteration 152: trace = 2.727938453189785 (0.0357782% change) linmin: converged after 6 iterations. iteration 153: trace = 2.727649314412402 (0.0105997% change) large trace change predicted (0.0314719%) linmin: converged after 5 iterations. iteration 154: trace = 2.726791830859148 (0.0314417% change) linmin: converged after 5 iterations. iteration 155: trace = 2.726414202246866 (0.0138498% change) large trace change predicted (0.0747307%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395467475787 (0.074071% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687992722442 (0.0259715% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722564479351532 (0.0412582% change) linmin: converged after 6 iterations. iteration 159: trace = 2.721742641544374 (0.0301907% change) linmin: converged after 6 iterations. iteration 160: trace = 2.720173117539718 (0.0576828% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719126934528914 (0.0384676% change) large trace change predicted (0.105576%) linmin: converged after 4 iterations. iteration 162: trace = 2.716260242702058 (0.105483% change) linmin: converged after 5 iterations. iteration 163: trace = 2.715293689117474 (0.0355903% change) large trace change predicted (0.139385%) linmin: converged after 4 iterations. iteration 164: trace = 2.711486071436141 (0.140327% change) linmin: converged after 4 iterations. iteration 165: trace = 2.710549551642114 (0.034545% change) large trace change predicted (0.088161%) linmin: converged after 4 iterations. iteration 166: trace = 2.708140625122256 (0.0889118% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707016991616928 (0.0414996% change) linmin: converged after 6 iterations. iteration 168: trace = 2.705086517550507 (0.0713391% change) linmin: converged after 6 iterations. iteration 169: trace = 2.704249185579521 (0.0309588% change) linmin: converged after 6 iterations. iteration 170: trace = 2.70286697756975 (0.0511255% change) linmin: converged after 6 iterations. iteration 171: trace = 2.702314851114448 (0.0204295% change) large trace change predicted (0.0431886%) linmin: converged after 6 iterations. iteration 172: trace = 2.701148865822604 (0.043157% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717737994567 (0.0159622% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926496369319 (0.0293017% change) linmin: converged after 9 iterations. iteration 175: trace = 2.699504711326707 (0.0156233% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895228285984 (0.0225801% change) linmin: converged after 5 iterations. iteration 177: trace = 2.69845248627361 (0.0164059% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993927855573 (0.0169948% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465798470492 (0.0195768% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665529696999 (0.0296718% change) linmin: converged after 7 iterations. iteration 181: trace = 2.696203637949456 (0.0171297% change) large trace change predicted (0.0347105%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266855519616 (0.0347505% change) linmin: converged after 5 iterations. iteration 183: trace = 2.694439958230504 (0.0306843% change) large trace change predicted (0.0624104%) linmin: converged after 9 iterations. iteration 184: trace = 2.692752798118185 (0.062636% change) linmin: converged after 8 iterations. iteration 185: trace = 2.690742143608226 (0.074697% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687553625591221 (0.11857% change) linmin: converged after 10 iterations. iteration 187: trace = 2.685786271118345 (0.0657823% change) large trace change predicted (0.272422%) linmin: converged after 5 iterations. iteration 188: trace = 2.678469038850558 (0.272814% change) linmin: converged after 5 iterations. iteration 189: trace = 2.675875271270749 (0.0968846% change) large trace change predicted (0.339205%) linmin: converged after 4 iterations. iteration 190: trace = 2.666749429302875 (0.341624% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662935791754209 (0.143109% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657097947243713 (0.219466% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653500798862163 (0.135471% change) linmin: converged after 6 iterations. iteration 194: trace = 2.648519701485342 (0.187894% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319196327754 (0.120914% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643049563980745 (0.0858349% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639077161842874 (0.150409% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637980234339716 (0.0415735% change) large trace change predicted (0.120144%) linmin: converged after 4 iterations. iteration 199: trace = 2.634788372723134 (0.12107% change) linmin: converged after 5 iterations. iteration 200: trace = 2.633992269155724 (0.0302197% change) large trace change predicted (0.0843001%) linmin: converged after 3 iterations. iteration 201: trace = 2.631753617625737 (0.0850269% change) linmin: converged after 6 iterations. iteration 202: trace = 2.630651895620766 (0.0418714% change) large trace change predicted (0.0971038%) linmin: converged after 9 iterations. iteration 203: trace = 2.628077536137525 (0.097908% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626793183488546 (0.0488824% change) large trace change predicted (0.142943%) linmin: converged after 3 iterations. iteration 205: trace = 2.622986080692303 (0.145039% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621383996907963 (0.0610973% change) large trace change predicted (0.232967%) linmin: converged after 4 iterations. iteration 207: trace = 2.615139473869272 (0.238499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612611956167025 (0.0966962% change) large trace change predicted (0.273615%) linmin: converged after 4 iterations. iteration 209: trace = 2.605294546018591 (0.280473% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602501639585325 (0.107259% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598226783311826 (0.164395% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595438442445011 (0.107375% change) linmin: converged after 4 iterations. iteration 213: trace = 2.593716854831667 (0.0663533% change) large trace change predicted (0.153318%) linmin: converged after 4 iterations. iteration 214: trace = 2.589741715718366 (0.153378% change) linmin: converged after 5 iterations. iteration 215: trace = 2.588707419123327 (0.0399462% change) large trace change predicted (0.210518%) linmin: converged after 6 iterations. iteration 216: trace = 2.583253193893322 (0.210915% change) linmin: converged after 9 iterations. iteration 217: trace = 2.581730199574025 (0.0589738% change) large trace change predicted (0.133263%) linmin: converged after 5 iterations. iteration 218: trace = 2.578286680822565 (0.133469% change) linmin: converged after 7 iterations. iteration 219: trace = 2.575897179422247 (0.0927208% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572968263562473 (0.113769% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568394298969082 (0.177928% change) linmin: converged after 7 iterations. iteration 222: trace = 2.565762350762913 (0.102527% change) large trace change predicted (0.271659%) linmin: converged after 3 iterations. iteration 223: trace = 2.558743056249501 (0.27395% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555855356893964 (0.11292% change) large trace change predicted (0.383531%) linmin: converged after 4 iterations. iteration 225: trace = 2.545964046426559 (0.387756% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542272455031843 (0.145103% change) large trace change predicted (0.357961%) linmin: converged after 3 iterations. iteration 227: trace = 2.533094064316798 (0.361684% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529281986486796 (0.150604% change) large trace change predicted (0.341752%) linmin: converged after 3 iterations. iteration 229: trace = 2.520565177206163 (0.345231% change) linmin: converged after 5 iterations. iteration 230: trace = 2.518048803871747 (0.0998836% change) large trace change predicted (0.265439%) linmin: converged after 4 iterations. iteration 231: trace = 2.511316892458201 (0.267704% change) linmin: converged after 7 iterations. iteration 232: trace = 2.510042722318929 (0.05075% change) large trace change predicted (0.139546%) linmin: converged after 3 iterations. iteration 233: trace = 2.50652768321382 (0.140137% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50570701660063 (0.0327465% change) large trace change predicted (0.0895116%) linmin: converged after 6 iterations. iteration 235: trace = 2.503462764984659 (0.0896057% change) linmin: converged after 5 iterations. iteration 236: trace = 2.502020878554722 (0.0576123% change) linmin: converged after 3 iterations. iteration 237: trace = 2.499357133046416 (0.10652% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498060229272503 (0.051903% change) large trace change predicted (0.134377%) linmin: converged after 3 iterations. iteration 239: trace = 2.494680578926055 (0.135383% change) linmin: converged after 3 iterations. iteration 240: trace = 2.492784206177824 (0.0760456% change) linmin: converged after 3 iterations. iteration 241: trace = 2.489548510931036 (0.129887% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485323205274456 (0.169866% change) linmin: converged after 4 iterations. iteration 243: trace = 2.483243378713432 (0.0837194% change) large trace change predicted (0.199061%) linmin: converged after 3 iterations. iteration 244: trace = 2.478260870991282 (0.200847% change) linmin: converged after 8 iterations. iteration 245: trace = 2.476663235827183 (0.0644868% change) large trace change predicted (0.23638%) linmin: converged after 3 iterations. iteration 246: trace = 2.470771800393848 (0.238161% change) linmin: converged after 4 iterations. iteration 247: trace = 2.467263022187214 (0.142112% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463512827262804 (0.152114% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460173715285887 (0.135635% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458464637430362 (0.0694939% change) large trace change predicted (0.161944%) linmin: converged after 3 iterations. iteration 251: trace = 2.454447849151615 (0.16352% change) linmin: converged after 4 iterations. iteration 252: trace = 2.452898905318962 (0.0631275% change) large trace change predicted (0.134015%) linmin: converged after 3 iterations. iteration 253: trace = 2.449577914497606 (0.135482% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448630132296462 (0.0386991% change) linmin: converged after 4 iterations. iteration 255: trace = 2.447792953309919 (0.0341955% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447309279190399 (0.0197616% change) linmin: converged after 5 iterations. iteration 257: trace = 2.447075084348053 (0.00956994% change) large trace change predicted (0.0198404%) linmin: converged after 3 iterations. iteration 258: trace = 2.446589451158328 (0.0198474% change) linmin: converged after 5 iterations. iteration 259: trace = 2.44643885622507 (0.00615549% change) large trace change predicted (0.0328875%) linmin: converged after 3 iterations. iteration 260: trace = 2.445633996009991 (0.0329047% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445318466412624 (0.0129026% change) large trace change predicted (0.0608575%) linmin: converged after 3 iterations. iteration 262: trace = 2.443826921509546 (0.0610145% change) linmin: converged after 8 iterations. iteration 263: trace = 2.442960129708474 (0.0354749% change) large trace change predicted (0.0929087%) linmin: converged after 3 iterations. iteration 264: trace = 2.440675969398874 (0.0935434% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439708508065579 (0.0396469% change) large trace change predicted (0.147496%) linmin: converged after 3 iterations. iteration 266: trace = 2.436077919336658 (0.148923% change) linmin: converged after 7 iterations. iteration 267: trace = 2.434989871206461 (0.0446739% change) large trace change predicted (0.13501%) linmin: converged after 3 iterations. iteration 268: trace = 2.431673039558048 (0.136308% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430791547543352 (0.036257% change) large trace change predicted (0.0924884%) linmin: converged after 3 iterations. iteration 270: trace = 2.428532709530431 (0.0929692% change) linmin: converged after 4 iterations. iteration 271: trace = 2.428080183817308 (0.0186354% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427352276899583 (0.0299832% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427093882290142 (0.0106457% change) linmin: converged after 3 iterations. iteration 274: trace = 2.426602493386211 (0.020248% change) linmin: converged after 5 iterations. iteration 275: trace = 2.426458650763427 (0.00592791% change) large trace change predicted (0.0145955%) linmin: converged after 3 iterations. iteration 276: trace = 2.42610420864135 (0.0146085% change) linmin: converged after 9 iterations. iteration 277: trace = 2.426001026018845 (0.00425311% change) large trace change predicted (0.0130293%) linmin: converged after 4 iterations. iteration 278: trace = 2.425684744039484 (0.013038% change) linmin: converged after 4 iterations. iteration 279: trace = 2.425547908904644 (0.00564125% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.425456432332552 (0.00377145% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425329023523761 (0.00525312% change) linmin: converged after 3 iterations. iteration 282: trace = 2.425209263141928 (0.00493802% change) linmin: converged after 5 iterations. iteration 283: trace = 2.425139361694731 (0.00288233% change) large trace change predicted (0.0101575%) linmin: converged after 4 iterations. iteration 284: trace = 2.424892873652419 (0.0101644% change) linmin: converged after 4 iterations. iteration 285: trace = 2.424794217343377 (0.00406856% change) large trace change predicted (0.0152137%) linmin: converged after 3 iterations. iteration 286: trace = 2.424425233233391 (0.0152183% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423886327780014 (0.0222306% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423609126297221 (0.0114369% change) large trace change predicted (0.0278068%) linmin: converged after 3 iterations. iteration 289: trace = 2.422934176240295 (0.0278528% change) linmin: converged after 7 iterations. iteration 290: trace = 2.422182661303272 (0.0310215% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421816113520184 (0.0151341% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421092952299891 (0.0298647% change) linmin: converged after 8 iterations. iteration 293: trace = 2.420928853410942 (0.00677811% change) linmin: converged after 3 iterations. iteration 294: trace = 2.420614966273286 (0.0129664% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420423391102427 (0.00791463% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420351654383627 (0.00296385% change) linmin: converged after 4 iterations. iteration 297: trace = 2.420227943006071 (0.00511143% change) linmin: converged after 4 iterations. iteration 298: trace = 2.420056192437012 (0.00709671% change) linmin: converged after 5 iterations. iteration 299: trace = 2.41997922460286 (0.00318047% change) large trace change predicted (0.00933409%) linmin: converged after 4 iterations. iteration 300: trace = 2.419753538390246 (0.00932639% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419685427916214 (0.00281481% change) large trace change predicted (0.00607762%) linmin: converged after 8 iterations. iteration 302: trace = 2.419538451023052 (0.0060744% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419396855475916 (0.00585234% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419347300034381 (0.00204828% change) large trace change predicted (0.00847111%) linmin: converged after 6 iterations. iteration 305: trace = 2.419142483385138 (0.00846614% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419070004982281 (0.00299608% change) large trace change predicted (0.0116725%) linmin: converged after 5 iterations. iteration 307: trace = 2.418787686606084 (0.0116712% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418489990653812 (0.0123084% change) linmin: converged after 5 iterations. iteration 309: trace = 2.418281992445798 (0.0086007% change) large trace change predicted (0.0215931%) linmin: converged after 6 iterations. iteration 310: trace = 2.417760276407096 (0.0215762% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417435188649911 (0.0134467% change) linmin: converged after 6 iterations. iteration 312: trace = 2.416805750619196 (0.0260408% change) linmin: converged after 7 iterations. iteration 313: trace = 2.416320700337448 (0.0200719% change) linmin: converged after 5 iterations. iteration 314: trace = 2.416241788340399 (0.00326584% change) large trace change predicted (0.00695951%) linmin: converged after 4 iterations. iteration 315: trace = 2.416073670003391 (0.00695809% change) linmin: converged after 6 iterations. iteration 316: trace = 2.41601284513149 (0.00251754% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415961263335417 (0.00213502% change) large trace change predicted (0.0043315%) linmin: converged after 7 iterations. iteration 318: trace = 2.415856617529764 (0.00433153% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415830097387928 (0.00109776% change) large trace change predicted (0.00369501%) linmin: converged after 5 iterations. iteration 320: trace = 2.415740854367253 (0.00369416% change) linmin: converged after 5 iterations. iteration 321: trace = 2.415707298352126 (0.00138907% change) large trace change predicted (0.00444085%) linmin: converged after 3 iterations. iteration 322: trace = 2.415600078669746 (0.00443854% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415491021179368 (0.00451482% change) linmin: converged after 5 iterations. iteration 324: trace = 2.415410490161924 (0.003334% change) linmin: converged after 4 iterations. iteration 325: trace = 2.415254944952951 (0.00643991% change) linmin: converged after 4 iterations. iteration 326: trace = 2.415046129890972 (0.00864605% change) linmin: converged after 3 iterations. iteration 327: trace = 2.414972277783549 (0.00305805% change) large trace change predicted (0.00705234%) linmin: converged after 4 iterations. iteration 328: trace = 2.41480187476109 (0.00705636% change) linmin: converged after 4 iterations. iteration 329: trace = 2.414693138410026 (0.00450301% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414626182250977 (0.0027729% change) large trace change predicted (0.00596213%) linmin: converged after 5 iterations. iteration 331: trace = 2.41448221362451 (0.00596253% change) linmin: converged after 4 iterations. iteration 332: trace = 2.414448144180044 (0.00141106% change) large trace change predicted (0.00381542%) linmin: converged after 3 iterations. iteration 333: trace = 2.414356026994811 (0.00381532% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414292217436085 (0.00264296% change) linmin: converged after 6 iterations. iteration 335: trace = 2.414274976961073 (0.000714103% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41424749585838 (0.00113828% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414228923824201 (0.000769271% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414219112327275 (0.000406404% change) large trace change predicted (0.00175654%) linmin: converged after 5 iterations. iteration 339: trace = 2.414176701400069 (0.00175673% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414164289373766 (0.000514132% change) large trace change predicted (0.00362285%) linmin: converged after 3 iterations. iteration 341: trace = 2.414076812566992 (0.00362355% change) linmin: converged after 5 iterations. iteration 342: trace = 2.41393565185639 (0.00584757% change) linmin: converged after 5 iterations. iteration 343: trace = 2.413841194268387 (0.00391309% change) large trace change predicted (0.0112809%) linmin: converged after 4 iterations. iteration 344: trace = 2.413568614311757 (0.011293% change) linmin: converged after 5 iterations. iteration 345: trace = 2.413477319728524 (0.00378263% change) large trace change predicted (0.0111679%) linmin: converged after 3 iterations. iteration 346: trace = 2.413207365570949 (0.0111859% change) linmin: converged after 5 iterations. iteration 347: trace = 2.413070580848645 (0.00566833% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413030384099815 (0.00166581% change) linmin: converged after 3 iterations. iteration 349: trace = 2.412977344368873 (0.00219808% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.412958092376421 (0.000797855% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412944186537388 (0.0005763% change) large trace change predicted (0.00115838%) linmin: converged after 5 iterations. iteration 352: trace = 2.412916241354624 (0.00115814% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412898546131054 (0.000733357% change) linmin: converged after 4 iterations. iteration 354: trace = 2.41286590797486 (0.00135266% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412838275273388 (0.00114523% change) linmin: converged after 8 iterations. iteration 356: trace = 2.412819378003956 (0.0007832% change) linmin: converged after 12 iterations. iteration 357: trace = 2.412787122255042 (0.00133686% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412779151682144 (0.000330348% change) large trace change predicted (0.00077371%) linmin: converged after 4 iterations. iteration 359: trace = 2.412760484552215 (0.000773681% change) linmin: converged after 5 iterations. iteration 360: trace = 2.412735338182783 (0.00104223% change) linmin: converged after 7 iterations. iteration 361: trace = 2.4127183686781 (0.000703333% change) large trace change predicted (0.00185915%) linmin: converged after 6 iterations. iteration 362: trace = 2.412673508075089 (0.00185936% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412653995667547 (0.00080875% change) large trace change predicted (0.00290444%) linmin: converged after 3 iterations. iteration 364: trace = 2.412583932793069 (0.00290402% change) linmin: converged after 5 iterations. iteration 365: trace = 2.412548947115566 (0.00145014% change) large trace change predicted (0.00300818%) linmin: converged after 4 iterations. iteration 366: trace = 2.412476403188062 (0.00300699% change) linmin: converged after 3 iterations. iteration 367: trace = 2.412401118052748 (0.00312071% change) linmin: converged after 5 iterations. iteration 368: trace = 2.412370979376927 (0.00124933% change) large trace change predicted (0.00294526%) linmin: converged after 5 iterations. iteration 369: trace = 2.412299940811616 (0.0029448% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412281881316058 (0.000748645% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412248577538592 (0.0013806% change) linmin: converged after 5 iterations. iteration 372: trace = 2.41223860759855 (0.000413306% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412231359508706 (0.000300472% change) linmin: converged after 6 iterations. iteration 374: trace = 2.41222132841783 (0.000415844% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412216242942324 (0.000210821% change) large trace change predicted (0.00072922%) linmin: converged after 5 iterations. iteration 376: trace = 2.412198649038367 (0.000729369% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412178949939009 (0.000816648% change) linmin: converged after 5 iterations. iteration 378: trace = 2.41214855897637 (0.0012599% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412104053526888 (0.00184507% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412080240623456 (0.00098723% change) large trace change predicted (0.00246305%) linmin: converged after 6 iterations. iteration 381: trace = 2.412020807051376 (0.00246403% change) linmin: converged after 15 iterations. iteration 382: trace = 2.411973698873427 (0.00195308% change) linmin: converged after 4 iterations. iteration 383: trace = 2.411903871828019 (0.00289506% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411801156507217 (0.00425877% change) linmin: converged after 6 iterations. iteration 385: trace = 2.411731816763695 (0.00287506% change) linmin: converged after 3 iterations. iteration 386: trace = 2.411598310239355 (0.00553587% change) linmin: converged after 4 iterations. iteration 387: trace = 2.411529071867097 (0.0028711% change) large trace change predicted (0.00740489%) linmin: converged after 5 iterations. iteration 388: trace = 2.411350480844088 (0.00740599% change) linmin: converged after 4 iterations. iteration 389: trace = 2.411233800911248 (0.0048389% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411160048038394 (0.00305877% change) linmin: converged after 4 iterations. iteration 391: trace = 2.411071925929188 (0.00365483% change) linmin: converged after 5 iterations. iteration 392: trace = 2.411050622414977 (0.000883574% change) linmin: converged after 3 iterations. iteration 393: trace = 2.41101385150018 (0.00152511% change) linmin: converged after 3 iterations. iteration 394: trace = 2.410997394176545 (0.000682592% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410977271535709 (0.000834622% change) linmin: converged after 5 iterations. iteration 396: trace = 2.410937309307222 (0.00165753% change) linmin: converged after 5 iterations. iteration 397: trace = 2.410918125106366 (0.000795719% change) large trace change predicted (0.00311544%) linmin: converged after 6 iterations. iteration 398: trace = 2.410842986991483 (0.00311663% change) linmin: converged after 5 iterations. iteration 399: trace = 2.41080973393768 (0.00137932% change) large trace change predicted (0.00291%) linmin: converged after 5 iterations. iteration 400: trace = 2.410739532115938 (0.002912% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410664669274483 (0.00310544% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410552887049915 (0.0046371% change) linmin: converged after 4 iterations. iteration 403: trace = 2.410349498574735 (0.00843778% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410247467713317 (0.00423312% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410109779272211 (0.00571279% change) linmin: converged after 5 iterations. iteration 406: trace = 2.410046036568734 (0.00264484% change) linmin: converged after 5 iterations. iteration 407: trace = 2.409960070641615 (0.00356705% change) linmin: converged after 4 iterations. iteration 408: trace = 2.409900657652954 (0.00246534% change) linmin: converged after 4 iterations. iteration 409: trace = 2.4098448769595 (0.00231467% change) linmin: converged after 5 iterations. iteration 410: trace = 2.409765691820529 (0.00328596% change) linmin: converged after 5 iterations. iteration 411: trace = 2.40972606929655 (0.00164426% change) linmin: converged after 5 iterations. iteration 412: trace = 2.409650066208098 (0.00315406% change) linmin: converged after 8 iterations. iteration 413: trace = 2.409606293325892 (0.00181658% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409534386414847 (0.00298422% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409470165137451 (0.00266533% change) linmin: converged after 5 iterations. iteration 416: trace = 2.409437705109584 (0.00134719% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409387052082649 (0.0021023% change) linmin: converged after 8 iterations. iteration 418: trace = 2.409366453536216 (0.000854933% change) large trace change predicted (0.0022058%) linmin: converged after 5 iterations. iteration 419: trace = 2.409313296913291 (0.00220627% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.409287425703921 (0.00107381% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409267190493871 (0.000839887% change) large trace change predicted (0.00196727%) linmin: converged after 6 iterations. iteration 422: trace = 2.409219801679697 (0.00196696% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409204193177113 (0.000647868% change) large trace change predicted (0.00309081%) linmin: converged after 4 iterations. iteration 424: trace = 2.40912975131398 (0.00308994% change) linmin: converged after 4 iterations. iteration 425: trace = 2.409087094882162 (0.00177063% change) linmin: converged after 3 iterations. iteration 426: trace = 2.409046497537967 (0.00168519% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408980518253521 (0.00273885% change) linmin: converged after 4 iterations. iteration 428: trace = 2.408951597724842 (0.00120054% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408911712310085 (0.00165573% change) linmin: converged after 5 iterations. iteration 430: trace = 2.408857624651632 (0.00224534% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408833758688919 (0.000990763% change) large trace change predicted (0.00345919%) linmin: converged after 5 iterations. iteration 432: trace = 2.408750489844308 (0.00345687% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408723882556862 (0.00110462% change) large trace change predicted (0.00323725%) linmin: converged after 3 iterations. iteration 434: trace = 2.408645956803237 (0.0032352% change) linmin: converged after 3 iterations. iteration 435: trace = 2.40855904776062 (0.00360828% change) linmin: converged after 7 iterations. iteration 436: trace = 2.40852618076087 (0.0013646% change) large trace change predicted (0.00364536%) linmin: converged after 3 iterations. iteration 437: trace = 2.408438436829843 (0.00364312% change) linmin: converged after 5 iterations. iteration 438: trace = 2.408395811469374 (0.00176985% change) linmin: converged after 5 iterations. iteration 439: trace = 2.408354438275061 (0.00171789% change) linmin: converged after 5 iterations. iteration 440: trace = 2.408324265818377 (0.00125283% change) linmin: converged after 4 iterations. iteration 441: trace = 2.40831169627634 (0.000521922% change) linmin: converged after 3 iterations. iteration 442: trace = 2.40829053587938 (0.000878644% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408267955796463 (0.000937602% change) linmin: converged after 5 iterations. iteration 444: trace = 2.408251629156538 (0.000677943% change) large trace change predicted (0.00177254%) linmin: converged after 4 iterations. iteration 445: trace = 2.408208935315483 (0.00177283% change) linmin: converged after 10 iterations. iteration 446: trace = 2.408188852947106 (0.000833917% change) large trace change predicted (0.00302169%) linmin: converged after 6 iterations. iteration 447: trace = 2.408116129935441 (0.00301987% change) linmin: converged after 7 iterations. iteration 448: trace = 2.40804441074114 (0.00297827% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407969059358527 (0.0031292% change) linmin: converged after 6 iterations. iteration 450: trace = 2.40783290126076 (0.00565464% change) linmin: converged after 4 iterations. iteration 451: trace = 2.407787768231651 (0.00187444% change) large trace change predicted (0.00463887%) linmin: converged after 5 iterations. iteration 452: trace = 2.407676120668092 (0.00463704% change) linmin: converged after 4 iterations. iteration 453: trace = 2.407607314357823 (0.00285783% change) linmin: converged after 3 iterations. iteration 454: trace = 2.407564823508349 (0.00176487% change) linmin: converged after 4 iterations. iteration 455: trace = 2.407513187509442 (0.00214476% change) linmin: converged after 5 iterations. iteration 456: trace = 2.40749394583152 (0.000799238% change) linmin: converged after 4 iterations. iteration 457: trace = 2.407465317183599 (0.00118915% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407435285463889 (0.00124745% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407421231867624 (0.00058376% change) linmin: converged after 5 iterations. iteration 460: trace = 2.40739663858308 (0.00102157% change) linmin: converged after 8 iterations. iteration 461: trace = 2.407391869825743 (0.000198088% change) large trace change predicted (0.000405187%) linmin: converged after 4 iterations. iteration 462: trace = 2.407382117554732 (0.000405098% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407371988739161 (0.000420741% change) linmin: converged after 6 iterations. iteration 464: trace = 2.407368323197194 (0.000152263% change) large trace change predicted (0.000819017%) linmin: converged after 5 iterations. iteration 465: trace = 2.407348608001826 (0.000818956% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407320938714247 (0.00114937% change) linmin: converged after 10 iterations. iteration 467: trace = 2.407297733660633 (0.000963941% change) large trace change predicted (0.00228594%) linmin: converged after 5 iterations. iteration 468: trace = 2.407242723373789 (0.00228517% change) linmin: converged after 8 iterations. iteration 469: trace = 2.40720654781344 (0.00150279% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407146306511494 (0.00250257% change) linmin: converged after 5 iterations. iteration 471: trace = 2.407082264152309 (0.00266055% change) linmin: converged after 5 iterations. iteration 472: trace = 2.407055848581008 (0.00109742% change) large trace change predicted (0.00355969%) linmin: converged after 5 iterations. iteration 473: trace = 2.406970224177726 (0.00355729% change) linmin: converged after 8 iterations. iteration 474: trace = 2.406956562906117 (0.000567573% change) large trace change predicted (0.0017044%) linmin: converged after 3 iterations. iteration 475: trace = 2.406915548994534 (0.00170399% change) linmin: converged after 7 iterations. iteration 476: trace = 2.406896101819472 (0.000807974% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406882530887512 (0.000563837% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406855988103139 (0.00110279% change) linmin: converged after 7 iterations. iteration 479: trace = 2.406843128840322 (0.000534278% change) large trace change predicted (0.00111275%) linmin: converged after 5 iterations. iteration 480: trace = 2.406816356440344 (0.00111235% change) linmin: converged after 9 iterations. iteration 481: trace = 2.40679921446282 (0.000712229% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406787672923606 (0.00047954% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406766457621487 (0.000881482% change) linmin: converged after 6 iterations. iteration 484: trace = 2.40675655400014 (0.000411492% change) linmin: converged after 4 iterations. iteration 485: trace = 2.406743704842799 (0.00053388% change) linmin: converged after 8 iterations. iteration 486: trace = 2.406726019593901 (0.000734823% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406709523673084 (0.000685412% change) large trace change predicted (0.00224017%) linmin: converged after 3 iterations. iteration 488: trace = 2.406655634442125 (0.00223915% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406607921499178 (0.00198256% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.406577353469841 (0.00127018% change) linmin: converged after 3 iterations. iteration 491: trace = 2.406535606840011 (0.0017347% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406515557267451 (0.000833134% change) linmin: converged after 5 iterations. iteration 493: trace = 2.406494854422019 (0.000860287% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40648216873415 (0.000527145% change) linmin: converged after 4 iterations. iteration 495: trace = 2.406469747133563 (0.000516174% change) linmin: converged after 3 iterations. iteration 496: trace = 2.406458604675681 (0.000463022% change) linmin: converged after 5 iterations. iteration 497: trace = 2.40644924364477 (0.000388997% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406436362949932 (0.000535259% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406425912722062 (0.000434262% change) linmin: converged after 8 iterations. iteration 500: trace = 2.406408206195094 (0.000735805% change) linmin: converged after 5 iterations. iteration 501: trace = 2.406399831903613 (0.000348% change) large trace change predicted (0.00102533%) linmin: converged after 4 iterations. iteration 502: trace = 2.406375162572453 (0.00102516% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406368754749756 (0.000266286% change) large trace change predicted (0.000956394%) linmin: converged after 6 iterations. iteration 504: trace = 2.40634574424264 (0.000956238% change) linmin: converged after 5 iterations. iteration 505: trace = 2.40633634165313 (0.000390742% change) large trace change predicted (0.00104053%) linmin: converged after 7 iterations. iteration 506: trace = 2.406311303663279 (0.00104051% change) linmin: converged after 3 iterations. iteration 507: trace = 2.406282012293107 (0.00121728% change) linmin: converged after 6 iterations. iteration 508: trace = 2.406252394795445 (0.00123085% change) large trace change predicted (0.00287277%) linmin: converged after 3 iterations. iteration 509: trace = 2.406183275736447 (0.00287252% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406167799963178 (0.000643169% change) large trace change predicted (0.00310487%) linmin: converged after 3 iterations. iteration 511: trace = 2.406093092633135 (0.00310487% change) linmin: converged after 6 iterations. iteration 512: trace = 2.40606550935689 (0.0011464% change) linmin: converged after 4 iterations. iteration 513: trace = 2.406030763884062 (0.00144409% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405985200000722 (0.00189375% change) linmin: converged after 6 iterations. iteration 515: trace = 2.405977083049585 (0.000337366% change) large trace change predicted (0.000846986%) linmin: converged after 5 iterations. iteration 516: trace = 2.405956703960279 (0.000847023% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405948889548555 (0.000324795% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405942061190459 (0.000283812% change) linmin: converged after 6 iterations. iteration 519: trace = 2.405932907864458 (0.000380447% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405927320727572 (0.000232224% change) large trace change predicted (0.000801157%) linmin: converged after 3 iterations. iteration 521: trace = 2.405908049116966 (0.000801009% change) linmin: converged after 3 iterations. iteration 522: trace = 2.405888764793276 (0.000801544% change) linmin: converged after 5 iterations. iteration 523: trace = 2.405870443131441 (0.000761537% change) large trace change predicted (0.00173729%) linmin: converged after 5 iterations. iteration 524: trace = 2.405828663686648 (0.00173658% change) linmin: converged after 3 iterations. iteration 525: trace = 2.405806952981375 (0.000902425% change) large trace change predicted (0.00211944%) linmin: converged after 5 iterations. iteration 526: trace = 2.405755987820135 (0.00211845% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405709075327722 (0.00195003% change) linmin: converged after 8 iterations. iteration 528: trace = 2.405669623857619 (0.00163992% change) large trace change predicted (0.00463582%) linmin: converged after 5 iterations. iteration 529: trace = 2.405558119950058 (0.00463515% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405513842306455 (0.00184066% change) large trace change predicted (0.00507465%) linmin: converged after 3 iterations. iteration 531: trace = 2.405391805640254 (0.00507333% change) linmin: converged after 5 iterations. iteration 532: trace = 2.405302776466054 (0.0037013% change) linmin: converged after 6 iterations. iteration 533: trace = 2.405225670469314 (0.00320572% change) linmin: converged after 5 iterations. iteration 534: trace = 2.405125384558691 (0.00416959% change) linmin: converged after 4 iterations. iteration 535: trace = 2.405094607781826 (0.00127964% change) large trace change predicted (0.00304987%) linmin: converged after 9 iterations. iteration 536: trace = 2.405021257228067 (0.00304985% change) linmin: converged after 4 iterations. iteration 537: trace = 2.405009384037696 (0.000493685% change) large trace change predicted (0.00132184%) linmin: converged after 4 iterations. iteration 538: trace = 2.404977586892497 (0.00132213% change) linmin: converged after 6 iterations. iteration 539: trace = 2.404959988643492 (0.000731745% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404946988248541 (0.000540567% change) large trace change predicted (0.0015967%) linmin: converged after 5 iterations. iteration 541: trace = 2.404908573238 (0.00159735% change) linmin: converged after 6 iterations. iteration 542: trace = 2.404896154483712 (0.000516393% change) large trace change predicted (0.00287666%) linmin: converged after 4 iterations. iteration 543: trace = 2.404826963510332 (0.00287713% change) linmin: converged after 6 iterations. iteration 544: trace = 2.404787406254018 (0.00164492% change) linmin: converged after 5 iterations. iteration 545: trace = 2.404736044893518 (0.00213582% change) large trace change predicted (0.00443929%) linmin: converged after 3 iterations. iteration 546: trace = 2.404629294934921 (0.00443925% change) linmin: converged after 6 iterations. iteration 547: trace = 2.4045845791738 (0.00185959% change) large trace change predicted (0.00466007%) linmin: converged after 4 iterations. iteration 548: trace = 2.404472586290214 (0.00465758% change) linmin: converged after 6 iterations. iteration 549: trace = 2.404434488341275 (0.00158447% change) large trace change predicted (0.00443587%) linmin: converged after 4 iterations. iteration 550: trace = 2.404327823952165 (0.00443625% change) linmin: converged after 4 iterations. iteration 551: trace = 2.404304216127492 (0.000981894% change) large trace change predicted (0.00258222%) linmin: converged after 7 iterations. iteration 552: trace = 2.404242123612877 (0.00258259% change) linmin: converged after 12 iterations. iteration 553: trace = 2.404215922729015 (0.00108978% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404164655472735 (0.00213241% change) linmin: converged after 5 iterations. iteration 555: trace = 2.404122910393553 (0.00173638% change) linmin: converged after 4 iterations. iteration 556: trace = 2.404058275216116 (0.00268855% change) linmin: converged after 8 iterations. iteration 557: trace = 2.404006846623001 (0.00213926% change) linmin: converged after 5 iterations. iteration 558: trace = 2.403950806811292 (0.00233113% change) linmin: converged after 6 iterations. iteration 559: trace = 2.403897883883366 (0.00220152% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.403878736992528 (0.000796497% change) linmin: converged after 4 iterations. iteration 561: trace = 2.403846928345224 (0.00132323% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403824804924251 (0.000920338% change) linmin: converged after 4 iterations. iteration 563: trace = 2.40380664787852 (0.000755343% change) large trace change predicted (0.00190861%) linmin: converged after 4 iterations. iteration 564: trace = 2.403760773619517 (0.00190842% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403736551598012 (0.00100768% change) large trace change predicted (0.00387845%) linmin: converged after 4 iterations. iteration 566: trace = 2.403643348766122 (0.00387749% change) linmin: converged after 7 iterations. iteration 567: trace = 2.403544438471036 (0.0041151% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40348158036816 (0.00261526% change) linmin: converged after 7 iterations. iteration 569: trace = 2.403363671687726 (0.00490587% change) linmin: converged after 5 iterations. iteration 570: trace = 2.403297018360325 (0.00277337% change) linmin: converged after 5 iterations. iteration 571: trace = 2.403255147059998 (0.00174226% change) linmin: converged after 6 iterations. iteration 572: trace = 2.40317455990013 (0.00335331% change) linmin: converged after 6 iterations. iteration 573: trace = 2.403154186498361 (0.000847774% change) large trace change predicted (0.00360817%) linmin: converged after 4 iterations. iteration 574: trace = 2.4030674909499 (0.00360764% change) linmin: converged after 4 iterations. iteration 575: trace = 2.403012650267774 (0.00228214% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402962873066075 (0.00207147% change) linmin: converged after 3 iterations. iteration 577: trace = 2.402919977614044 (0.00178512% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402896733822861 (0.000967319% change) large trace change predicted (0.00204625%) linmin: converged after 5 iterations. iteration 579: trace = 2.402847577715611 (0.00204572% change) linmin: converged after 4 iterations. iteration 580: trace = 2.402807033410863 (0.00168736% change) linmin: converged after 3 iterations. iteration 581: trace = 2.402777532535984 (0.00122777% change) linmin: converged after 3 iterations. iteration 582: trace = 2.402739930900951 (0.00156494% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402720125343526 (0.000824294% change) linmin: converged after 4 iterations. iteration 584: trace = 2.402687763069366 (0.00134691% change) large trace change predicted (0.00290311%) linmin: converged after 5 iterations. iteration 585: trace = 2.402618052886326 (0.00290138% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402590772605703 (0.00113545% change) large trace change predicted (0.00576794%) linmin: converged after 9 iterations. iteration 587: trace = 2.402452368751609 (0.00576077% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402340839589299 (0.00464241% change) linmin: converged after 7 iterations. iteration 589: trace = 2.402226500440043 (0.0047596% change) linmin: converged after 5 iterations. iteration 590: trace = 2.402094160427195 (0.00550921% change) linmin: converged after 4 iterations. iteration 591: trace = 2.402028738734665 (0.00272356% change) linmin: converged after 8 iterations. iteration 592: trace = 2.40193632985058 (0.00384719% change) linmin: converged after 5 iterations. iteration 593: trace = 2.401875892730049 (0.00251621% change) linmin: converged after 12 iterations. iteration 594: trace = 2.40185769126464 (0.000757805% change) large trace change predicted (0.00158397%) linmin: converged after 4 iterations. iteration 595: trace = 2.401819651080237 (0.00158379% change) linmin: converged after 3 iterations. iteration 596: trace = 2.401807708348334 (0.000497238% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401792593061487 (0.000629332% change) linmin: converged after 5 iterations. iteration 598: trace = 2.401768947664185 (0.000984494% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401762216460676 (0.000280261% change) large trace change predicted (0.00105261%) linmin: converged after 3 iterations. iteration 600: trace = 2.4017369389012 (0.00105246% change) linmin: converged after 6 iterations. iteration 601: trace = 2.401727062384461 (0.000411225% change) linmin: converged after 5 iterations. iteration 602: trace = 2.401714255105116 (0.000533254% change) linmin: converged after 4 iterations. iteration 603: trace = 2.4016968970432 (0.000722739% change) linmin: converged after 6 iterations. iteration 604: trace = 2.401688806682655 (0.000336861% change) large trace change predicted (0.00113936%) linmin: converged after 7 iterations. iteration 605: trace = 2.401661449259016 (0.0011391% change) linmin: converged after 4 iterations. iteration 606: trace = 2.401620882925068 (0.00168911% change) linmin: converged after 13 iterations. iteration 607: trace = 2.401575027100097 (0.00190939% change) large trace change predicted (0.00394296%) linmin: converged after 3 iterations. iteration 608: trace = 2.401480388969659 (0.00394075% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401406990288653 (0.00305644% change) linmin: converged after 8 iterations. iteration 610: trace = 2.401317376248728 (0.0037318% change) linmin: converged after 5 iterations. iteration 611: trace = 2.401245887182211 (0.00297712% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401228773172378 (0.000712716% change) large trace change predicted (0.00156302%) linmin: converged after 5 iterations. iteration 613: trace = 2.4011912330083 (0.00156339% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401176877196626 (0.000597864% change) linmin: converged after 6 iterations. iteration 615: trace = 2.401157429605223 (0.000809922% change) linmin: converged after 5 iterations. iteration 616: trace = 2.401137025417903 (0.000849768% change) linmin: converged after 5 iterations. iteration 617: trace = 2.401129955714504 (0.000294432% change) large trace change predicted (0.000844026%) linmin: converged after 4 iterations. iteration 618: trace = 2.401109689483699 (0.000844032% change) linmin: converged after 5 iterations. iteration 619: trace = 2.401091065937965 (0.000775625% change) linmin: converged after 5 iterations. iteration 620: trace = 2.401073869481546 (0.000716196% change) linmin: converged after 5 iterations. iteration 621: trace = 2.401045611149328 (0.00117691% change) linmin: converged after 5 iterations. iteration 622: trace = 2.401024789401927 (0.000867199% change) linmin: converged after 7 iterations. iteration 623: trace = 2.400985585103309 (0.00163283% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400950516491264 (0.0014606% change) linmin: converged after 6 iterations. iteration 625: trace = 2.400921724514769 (0.0011992% change) large trace change predicted (0.00442853%) linmin: converged after 5 iterations. iteration 626: trace = 2.400815436912767 (0.00442705% change) linmin: converged after 5 iterations. iteration 627: trace = 2.400758891856712 (0.00235527% change) linmin: converged after 4 iterations. iteration 628: trace = 2.400674889902897 (0.00349904% change) linmin: converged after 5 iterations. iteration 629: trace = 2.400539021663387 (0.00565975% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.400448940520251 (0.00375261% change) linmin: converged after 8 iterations. iteration 631: trace = 2.400371093998 (0.00324305% change) linmin: converged after 5 iterations. iteration 632: trace = 2.40029571307695 (0.00314044% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400212714335126 (0.00345791% change) linmin: converged after 4 iterations. iteration 634: trace = 2.40014741730044 (0.00272051% change) linmin: converged after 3 iterations. iteration 635: trace = 2.400133591440214 (0.000576044% change) large trace change predicted (0.00171384%) linmin: converged after 5 iterations. iteration 636: trace = 2.40009246268975 (0.00171362% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400072356913596 (0.000837712% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400056653307066 (0.000654299% change) linmin: converged after 3 iterations. iteration 639: trace = 2.400032143309593 (0.00102123% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40002288274058 (0.000385853% change) large trace change predicted (0.000883049%) linmin: converged after 13 iterations. iteration 641: trace = 2.400001691594345 (0.00088296% change) linmin: converged after 4 iterations. iteration 642: trace = 2.399982044273439 (0.000818641% change) linmin: converged after 4 iterations. iteration 643: trace = 2.399976069778171 (0.000248939% change) large trace change predicted (0.0010033%) linmin: converged after 3 iterations. iteration 644: trace = 2.399951987441472 (0.00100345% change) linmin: converged after 8 iterations. iteration 645: trace = 2.39993237997668 (0.000816997% change) linmin: converged after 5 iterations. iteration 646: trace = 2.399910671704903 (0.000904541% change) large trace change predicted (0.00251589%) linmin: converged after 3 iterations. iteration 647: trace = 2.399850284857141 (0.00251624% change) linmin: converged after 5 iterations. iteration 648: trace = 2.399829116036321 (0.000882093% change) large trace change predicted (0.00376049%) linmin: converged after 4 iterations. iteration 649: trace = 2.399738897782539 (0.00375943% change) linmin: converged after 4 iterations. iteration 650: trace = 2.399670075442045 (0.00286795% change) linmin: converged after 5 iterations. iteration 651: trace = 2.399601011617795 (0.0028781% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399548364891094 (0.002194% change) linmin: converged after 4 iterations. iteration 653: trace = 2.399520651546327 (0.00115495% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399494804205672 (0.00107719% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399480070121222 (0.000614051% change) linmin: converged after 6 iterations. iteration 656: trace = 2.399470795435928 (0.00038653% change) linmin: converged after 3 iterations. iteration 657: trace = 2.399454389865875 (0.000683719% change) linmin: converged after 3 iterations. iteration 658: trace = 2.399445758108693 (0.000359739% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399429786331971 (0.000665647% change) linmin: converged after 4 iterations. iteration 660: trace = 2.399407385281236 (0.000933603% change) linmin: converged after 5 iterations. iteration 661: trace = 2.399400282885068 (0.000296007% change) large trace change predicted (0.00109265%) linmin: converged after 4 iterations. iteration 662: trace = 2.399374067441653 (0.00109259% change) linmin: converged after 2 iterations. iteration 663: trace = 2.399347448526156 (0.00110942% change) linmin: converged after 5 iterations. iteration 664: trace = 2.399318769618348 (0.00119529% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399261852897858 (0.00237223% change) linmin: converged after 5 iterations. iteration 666: trace = 2.399224078485799 (0.00157443% change) linmin: converged after 6 iterations. iteration 667: trace = 2.399149865363118 (0.00309326% change) linmin: converged after 4 iterations. iteration 668: trace = 2.399045479083078 (0.00435106% change) linmin: converged after 5 iterations. iteration 669: trace = 2.398983133645272 (0.00259879% change) large trace change predicted (0.00770133%) linmin: converged after 6 iterations. iteration 670: trace = 2.398798508777453 (0.00769626% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398750961747214 (0.00198214% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398656098098674 (0.00395479% change) linmin: converged after 5 iterations. iteration 673: trace = 2.398623906945157 (0.00134206% change) linmin: converged after 4 iterations. iteration 674: trace = 2.398590914172487 (0.0013755% change) linmin: converged after 5 iterations. iteration 675: trace = 2.398551154052113 (0.00165766% change) linmin: converged after 5 iterations. iteration 676: trace = 2.398538875067128 (0.000511935% change) large trace change predicted (0.00181828%) linmin: converged after 5 iterations. iteration 677: trace = 2.398495268381243 (0.00181807% change) linmin: converged after 3 iterations. iteration 678: trace = 2.398483221762058 (0.000502259% change) large trace change predicted (0.00130369%) linmin: converged after 3 iterations. iteration 679: trace = 2.398451938659577 (0.0013043% change) linmin: converged after 6 iterations. iteration 680: trace = 2.398417031338629 (0.00145542% change) linmin: converged after 5 iterations. iteration 681: trace = 2.398395109550561 (0.000914015% change) large trace change predicted (0.00298605%) linmin: converged after 8 iterations. iteration 682: trace = 2.398323449625818 (0.00298787% change) linmin: converged after 7 iterations. iteration 683: trace = 2.398292693103413 (0.00128243% change) large trace change predicted (0.00328961%) linmin: converged after 4 iterations. iteration 684: trace = 2.398213734195218 (0.00329235% change) linmin: converged after 4 iterations. iteration 685: trace = 2.398151947224186 (0.00257641% change) linmin: converged after 4 iterations. iteration 686: trace = 2.398116045969583 (0.00149705% change) linmin: converged after 4 iterations. iteration 687: trace = 2.398057448788226 (0.0024435% change) linmin: converged after 6 iterations. iteration 688: trace = 2.398025803033653 (0.00131965% change) linmin: converged after 3 iterations. iteration 689: trace = 2.397968309028343 (0.00239758% change) linmin: converged after 5 iterations. iteration 690: trace = 2.397902171888899 (0.00275809% change) linmin: converged after 4 iterations. iteration 691: trace = 2.397833284827112 (0.00287285% change) linmin: converged after 4 iterations. iteration 692: trace = 2.397760860037896 (0.00302047% change) linmin: converged after 4 iterations. iteration 693: trace = 2.397733520417618 (0.00114022% change) linmin: converged after 4 iterations. iteration 694: trace = 2.397694622929557 (0.00162227% change) linmin: converged after 5 iterations. iteration 695: trace = 2.39767835630367 (0.00067843% change) linmin: converged after 4 iterations. iteration 696: trace = 2.397661745955241 (0.00069277% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397645132146407 (0.00069292% change) linmin: converged after 5 iterations. iteration 698: trace = 2.397638068288229 (0.000294617% change) large trace change predicted (0.00165669%) linmin: converged after 5 iterations. iteration 699: trace = 2.397598347211788 (0.00165669% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.39758239410961 (0.000665381% change) linmin: converged after 5 iterations. iteration 701: trace = 2.397560443954596 (0.000915516% change) linmin: converged after 3 iterations. iteration 702: trace = 2.397545454380746 (0.000625203% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397538502714289 (0.00028995% change) large trace change predicted (0.00101637%) linmin: converged after 4 iterations. iteration 704: trace = 2.397514137251211 (0.00101628% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397487682420538 (0.00110343% change) linmin: converged after 5 iterations. iteration 706: trace = 2.397462487788958 (0.00105088% change) large trace change predicted (0.00331332%) linmin: converged after 6 iterations. iteration 707: trace = 2.397383085367669 (0.00331199% change) linmin: converged after 4 iterations. iteration 708: trace = 2.397357524252455 (0.00106621% change) large trace change predicted (0.0028161%) linmin: converged after 3 iterations. iteration 709: trace = 2.397290013001008 (0.00281611% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397218757445285 (0.00297238% change) linmin: converged after 4 iterations. iteration 711: trace = 2.397199565464883 (0.000800597% change) large trace change predicted (0.00324724%) linmin: converged after 3 iterations. iteration 712: trace = 2.397121751801342 (0.00324608% change) linmin: converged after 6 iterations. iteration 713: trace = 2.397095605362654 (0.00109075% change) large trace change predicted (0.00230687%) linmin: converged after 5 iterations. iteration 714: trace = 2.397040332562358 (0.00230585% change) linmin: converged after 3 iterations. iteration 715: trace = 2.396987519520442 (0.00220328% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396960538556553 (0.00112563% change) linmin: converged after 8 iterations. iteration 717: trace = 2.396910801167665 (0.00207504% change) linmin: converged after 5 iterations. iteration 718: trace = 2.396865981324696 (0.00186992% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396844753180099 (0.000885666% change) linmin: converged after 3 iterations. iteration 720: trace = 2.396807971416041 (0.0015346% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396794629674081 (0.000556648% change) linmin: converged after 5 iterations. iteration 722: trace = 2.396769430129229 (0.00105139% change) linmin: converged after 6 iterations. iteration 723: trace = 2.396746799016373 (0.000944238% change) linmin: converged after 5 iterations. iteration 724: trace = 2.396737231229561 (0.0003992% change) large trace change predicted (0.00148121%) linmin: converged after 3 iterations. iteration 725: trace = 2.396701734334349 (0.00148106% change) linmin: converged after 4 iterations. iteration 726: trace = 2.396684811167906 (0.000706105% change) large trace change predicted (0.00257885%) linmin: converged after 3 iterations. iteration 727: trace = 2.396623013363413 (0.0025785% change) linmin: converged after 5 iterations. iteration 728: trace = 2.396562471766473 (0.00252615% change) linmin: converged after 4 iterations. iteration 729: trace = 2.396485807362582 (0.00319898% change) linmin: converged after 4 iterations. iteration 730: trace = 2.396398629990256 (0.00363778% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396364140161586 (0.00143925% change) large trace change predicted (0.00343283%) linmin: converged after 4 iterations. iteration 732: trace = 2.396281906195748 (0.00343167% change) linmin: converged after 5 iterations. iteration 733: trace = 2.396257498895117 (0.00101855% change) large trace change predicted (0.00238498%) linmin: converged after 5 iterations. iteration 734: trace = 2.396200374211696 (0.00238394% change) linmin: converged after 3 iterations. iteration 735: trace = 2.396187510478526 (0.00053684% change) large trace change predicted (0.0010834%) linmin: converged after 4 iterations. iteration 736: trace = 2.396161559473703 (0.00108302% change) linmin: converged after 6 iterations. iteration 737: trace = 2.3961481230029 (0.000560751% change) linmin: converged after 9 iterations. iteration 738: trace = 2.396141443781758 (0.000278749% change) large trace change predicted (0.000670855%) linmin: converged after 5 iterations. iteration 739: trace = 2.396125373143394 (0.00067069% change) linmin: converged after 5 iterations. iteration 740: trace = 2.396120352721215 (0.000209523% change) large trace change predicted (0.000748139%) linmin: converged after 10 iterations. iteration 741: trace = 2.396102427987452 (0.000748076% change) linmin: converged after 8 iterations. iteration 742: trace = 2.396097685709103 (0.000197917% change) linmin: converged after 4 iterations. iteration 743: trace = 2.39608858187457 (0.000379945% change) linmin: converged after 4 iterations. iteration 744: trace = 2.396080477902917 (0.000338217% change) linmin: converged after 5 iterations. iteration 745: trace = 2.396075994320579 (0.000187122% change) large trace change predicted (0.000530055%) linmin: converged after 7 iterations. iteration 746: trace = 2.396063294660862 (0.00053002% change) linmin: converged after 5 iterations. iteration 747: trace = 2.39605513662636 (0.000340477% change) large trace change predicted (0.00128155%) linmin: converged after 4 iterations. iteration 748: trace = 2.39602443907263 (0.00128118% change) linmin: converged after 8 iterations. iteration 749: trace = 2.396006591380845 (0.00074489% change) large trace change predicted (0.00186507%) linmin: converged after 5 iterations. iteration 750: trace = 2.395961906998437 (0.00186497% change) linmin: converged after 8 iterations. iteration 751: trace = 2.395927109489925 (0.00145235% change) linmin: converged after 7 iterations. iteration 752: trace = 2.395890786887048 (0.00151603% change) linmin: converged after 8 iterations. iteration 753: trace = 2.395866619214188 (0.00100872% change) linmin: converged after 4 iterations. iteration 754: trace = 2.395835828704396 (0.00128516% change) linmin: converged after 7 iterations. iteration 755: trace = 2.395818046340084 (0.000742222% change) linmin: converged after 6 iterations. iteration 756: trace = 2.395795347878103 (0.000947425% change) linmin: converged after 6 iterations. iteration 757: trace = 2.395778228352431 (0.000714568% change) linmin: converged after 3 iterations. iteration 758: trace = 2.395769799862759 (0.000351807% change) linmin: converged after 7 iterations. iteration 759: trace = 2.395759081764716 (0.000447377% change) linmin: converged after 3 iterations. iteration 760: trace = 2.39575280926562 (0.000261817% change) linmin: converged after 5 iterations. iteration 761: trace = 2.39574707387441 (0.000239399% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395737719989556 (0.000390438% change) linmin: converged after 5 iterations. iteration 763: trace = 2.395733826987011 (0.000162497% change) large trace change predicted (0.000701611%) linmin: converged after 8 iterations. iteration 764: trace = 2.395717020918321 (0.000701502% change) linmin: converged after 3 iterations. iteration 765: trace = 2.395713145706522 (0.000161756% change) large trace change predicted (0.000956725%) linmin: converged after 5 iterations. iteration 766: trace = 2.395690221195577 (0.000956902% change) linmin: converged after 8 iterations. iteration 767: trace = 2.395682105396979 (0.000338767% change) large trace change predicted (0.000729102%) linmin: converged after 4 iterations. iteration 768: trace = 2.395664636191873 (0.000729198% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395652041868552 (0.000525715% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.395642452366607 (0.000400289% change) linmin: converged after 9 iterations. iteration 771: trace = 2.395629260225946 (0.000550674% change) linmin: converged after 3 iterations. iteration 772: trace = 2.395618048162598 (0.000468023% change) linmin: converged after 5 iterations. iteration 773: trace = 2.395610174871793 (0.000328654% change) linmin: converged after 3 iterations. iteration 774: trace = 2.395596566662333 (0.000568049% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395590051652562 (0.000271958% change) large trace change predicted (0.000806528%) linmin: converged after 6 iterations. iteration 776: trace = 2.395570730932862 (0.000806515% change) linmin: converged after 5 iterations. iteration 777: trace = 2.395565290115732 (0.00022712% change) large trace change predicted (0.000498756%) linmin: converged after 4 iterations. iteration 778: trace = 2.395553340709094 (0.000498815% change) linmin: converged after 4 iterations. iteration 779: trace = 2.39554568390412 (0.000319626% change) linmin: converged after 17 iterations. iteration 780: trace = 2.395541431298903 (0.000177522% change) large trace change predicted (0.00049215%) linmin: converged after 4 iterations. iteration 781: trace = 2.395529642298953 (0.000492124% change) linmin: converged after 4 iterations. iteration 782: trace = 2.395525068614838 (0.000190926% change) large trace change predicted (0.00079864%) linmin: converged after 3 iterations. iteration 783: trace = 2.395505939577015 (0.000798535% change) linmin: converged after 6 iterations. iteration 784: trace = 2.395495457574481 (0.00043757% change) large trace change predicted (0.00153707%) linmin: converged after 4 iterations. iteration 785: trace = 2.395458640239006 (0.00153695% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395426780773616 (0.00133% change) linmin: converged after 6 iterations. iteration 787: trace = 2.395395614327688 (0.00130109% change) linmin: converged after 4 iterations. iteration 788: trace = 2.395347753316066 (0.00199806% change) linmin: converged after 15 iterations. iteration 789: trace = 2.395336200484313 (0.000482304% change) large trace change predicted (0.00110779%) linmin: converged after 5 iterations. iteration 790: trace = 2.395309659115983 (0.00110805% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395305541536678 (0.000171902% change) large trace change predicted (0.000426853%) linmin: converged after 4 iterations. iteration 792: trace = 2.395295317112858 (0.000426854% change) linmin: converged after 6 iterations. iteration 793: trace = 2.395291607935198 (0.000154853% change) linmin: converged after 4 iterations. iteration 794: trace = 2.395284881369466 (0.000280825% change) linmin: converged after 3 iterations. iteration 795: trace = 2.395282314882131 (0.000107148% change) large trace change predicted (0.000363795%) linmin: converged after 5 iterations. iteration 796: trace = 2.395273600083791 (0.000363832% change) linmin: converged after 5 iterations. iteration 797: trace = 2.395271223154673 (9.92342e-05% change) large trace change predicted (0.000340884%) linmin: converged after 2 iterations. iteration 798: trace = 2.39526305787462 (0.000340892% change) linmin: converged after 5 iterations. iteration 799: trace = 2.395260394965665 (0.000111174% change) large trace change predicted (0.000431369%) linmin: converged after 6 iterations. iteration 800: trace = 2.395250061116095 (0.00043143% change) linmin: converged after 4 iterations. iteration 801: trace = 2.395245413649938 (0.000194029% change) large trace change predicted (0.000569044%) linmin: converged after 4 iterations. iteration 802: trace = 2.395231784161364 (0.000569024% change) linmin: converged after 3 iterations. iteration 803: trace = 2.395223581441534 (0.000342461% change) linmin: converged after 5 iterations. iteration 804: trace = 2.395207934722523 (0.000653249% change) linmin: converged after 3 iterations. iteration 805: trace = 2.395196120649871 (0.000493239% change) linmin: converged after 5 iterations. iteration 806: trace = 2.395178716878824 (0.000726614% change) linmin: converged after 5 iterations. iteration 807: trace = 2.395148199747699 (0.00127411% change) linmin: converged after 5 iterations. iteration 808: trace = 2.395137434610638 (0.000449457% change) large trace change predicted (0.00167401%) linmin: converged after 4 iterations. iteration 809: trace = 2.395097334971058 (0.00167422% change) linmin: converged after 6 iterations. iteration 810: trace = 2.395079604739446 (0.000740275% change) large trace change predicted (0.00207408%) linmin: converged after 4 iterations. iteration 811: trace = 2.395029918711579 (0.00207453% change) linmin: converged after 6 iterations. iteration 812: trace = 2.395008690784144 (0.000886336% change) large trace change predicted (0.00240346%) linmin: converged after 7 iterations. iteration 813: trace = 2.394951105525065 (0.00240442% change) linmin: converged after 5 iterations. iteration 814: trace = 2.394938116298908 (0.00054236% change) large trace change predicted (0.00136867%) linmin: converged after 13 iterations. iteration 815: trace = 2.394905336611201 (0.00136872% change) linmin: converged after 6 iterations. iteration 816: trace = 2.394892346720609 (0.000542398% change) linmin: converged after 4 iterations. iteration 817: trace = 2.394879298712001 (0.000544828% change) linmin: converged after 7 iterations. iteration 818: trace = 2.394869403121697 (0.000413199% change) linmin: converged after 3 iterations. iteration 819: trace = 2.394861454864876 (0.000331887% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394853691918189 (0.000324151% change) linmin: converged after 4 iterations. iteration 821: trace = 2.394847429933353 (0.000261477% change) linmin: converged after 7 iterations. iteration 822: trace = 2.394837501342926 (0.000414582% change) linmin: converged after 5 iterations. iteration 823: trace = 2.39483302852368 (0.000186769% change) large trace change predicted (0.000876756%) linmin: converged after 4 iterations. iteration 824: trace = 2.394812023301695 (0.00087711% change) linmin: converged after 6 iterations. iteration 825: trace = 2.394804586080783 (0.000310556% change) large trace change predicted (0.00093003%) linmin: converged after 3 iterations. iteration 826: trace = 2.394782307915482 (0.000930275% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394769386045013 (0.000539586% change) large trace change predicted (0.00117236%) linmin: converged after 6 iterations. iteration 828: trace = 2.394741300849612 (0.00117278% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394720862647654 (0.000853465% change) linmin: converged after 6 iterations. iteration 830: trace = 2.394704186977982 (0.000696354% change) linmin: converged after 4 iterations. iteration 831: trace = 2.394682849252985 (0.000891042% change) linmin: converged after 6 iterations. iteration 832: trace = 2.39467402733472 (0.000368397% change) large trace change predicted (0.00107963%) linmin: converged after 3 iterations. iteration 833: trace = 2.394648178904071 (0.00107942% change) linmin: converged after 6 iterations. iteration 834: trace = 2.394641160982183 (0.000293067% change) large trace change predicted (0.000861246%) linmin: converged after 6 iterations. iteration 835: trace = 2.394620539422801 (0.000861158% change) linmin: converged after 6 iterations. iteration 836: trace = 2.394608537546642 (0.000501203% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394588612079556 (0.000832101% change) linmin: converged after 3 iterations. iteration 838: trace = 2.394574852354423 (0.000574619% change) linmin: converged after 5 iterations. iteration 839: trace = 2.39455216210991 (0.000947573% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394540823701043 (0.00047351% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394527776114812 (0.00054489% change) linmin: converged after 5 iterations. iteration 842: trace = 2.394523660121363 (0.000171892% change) linmin: converged after 6 iterations. iteration 843: trace = 2.394518063110889 (0.000233742% change) linmin: converged after 2 iterations. iteration 844: trace = 2.394509803044171 (0.000344958% change) linmin: converged after 5 iterations. iteration 845: trace = 2.394507760696138 (8.5293e-05% change) large trace change predicted (0.000436312%) linmin: converged after 4 iterations. iteration 846: trace = 2.394497313427193 (0.000436302% change) linmin: converged after 4 iterations. iteration 847: trace = 2.394490362233961 (0.000290299% change) linmin: converged after 6 iterations. iteration 848: trace = 2.394477476693619 (0.000538134% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394464689887249 (0.000534014% change) linmin: converged after 5 iterations. iteration 850: trace = 2.394458144136741 (0.00027337% change) large trace change predicted (0.000877888%) linmin: converged after 5 iterations. iteration 851: trace = 2.394437132506152 (0.000877515% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394410973238042 (0.00109251% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394402272635757 (0.000363372% change) large trace change predicted (0.00121355%) linmin: converged after 4 iterations. iteration 854: trace = 2.394373229641932 (0.00121296% change) linmin: converged after 7 iterations. iteration 855: trace = 2.394354067564101 (0.000800299% change) linmin: converged after 8 iterations. iteration 856: trace = 2.39433372431924 (0.000849638% change) linmin: converged after 6 iterations. iteration 857: trace = 2.394297166381279 (0.00152686% change) linmin: converged after 5 iterations. iteration 858: trace = 2.394285767544338 (0.000476084% change) large trace change predicted (0.00159333%) linmin: converged after 4 iterations. iteration 859: trace = 2.394247622389388 (0.00159319% change) linmin: converged after 4 iterations. iteration 860: trace = 2.394233346506626 (0.000596259% change) linmin: converged after 6 iterations. iteration 861: trace = 2.394207819726012 (0.00106618% change) linmin: converged after 5 iterations. iteration 862: trace = 2.394195519026676 (0.00051377% change) linmin: converged after 5 iterations. iteration 863: trace = 2.394188993596345 (0.000272552% change) linmin: converged after 5 iterations. iteration 864: trace = 2.394182356903114 (0.0002772% change) linmin: converged after 5 iterations. iteration 865: trace = 2.394179333180336 (0.000126295% change) large trace change predicted (0.000328299%) linmin: converged after 5 iterations. iteration 866: trace = 2.394171473976929 (0.000328263% change) linmin: converged after 5 iterations. iteration 867: trace = 2.394161450734507 (0.000418653% change) linmin: converged after 4 iterations. iteration 868: trace = 2.394155805717717 (0.000235783% change) large trace change predicted (0.000528311%) linmin: converged after 5 iterations. iteration 869: trace = 2.39414315843689 (0.000528258% change) linmin: converged after 7 iterations. iteration 870: trace = 2.394130787986597 (0.000516698% change) linmin: converged after 6 iterations. iteration 871: trace = 2.394120900976059 (0.00041297% change) large trace change predicted (0.00112671%) linmin: converged after 4 iterations. iteration 872: trace = 2.39409393349801 (0.00112641% change) linmin: converged after 8 iterations. iteration 873: trace = 2.394087939782523 (0.000250355% change) large trace change predicted (0.000736548%) linmin: converged after 5 iterations. iteration 874: trace = 2.394070307241102 (0.000736506% change) linmin: converged after 5 iterations. iteration 875: trace = 2.394053220487694 (0.000713714% change) linmin: converged after 5 iterations. iteration 876: trace = 2.394047530589803 (0.000237668% change) linmin: converged after 7 iterations. iteration 877: trace = 2.394037289050395 (0.000427793% change) linmin: converged after 12 iterations. iteration 878: trace = 2.394028799022859 (0.000354633% change) linmin: converged after 17 iterations. iteration 879: trace = 2.394022136076078 (0.000278316% change) linmin: converged after 5 iterations. iteration 880: trace = 2.394012906652803 (0.00038552% change) linmin: converged after 14 iterations. iteration 881: trace = 2.394011176554337 (7.22677e-05% change) large trace change predicted (0.000190848%) linmin: converged after 5 iterations. iteration 882: trace = 2.394006607691629 (0.000190846% change) linmin: converged after 8 iterations. iteration 883: trace = 2.394004935452463 (6.98511e-05% change) linmin: converged after 6 iterations. iteration 884: trace = 2.394003356094164 (6.59714e-05% change) large trace change predicted (0.000162004%) linmin: converged after 3 iterations. iteration 885: trace = 2.39399947773438 (0.000162003% change) linmin: converged after 9 iterations. iteration 886: trace = 2.393997603098247 (7.83057e-05% change) large trace change predicted (0.000254067%) linmin: converged after 6 iterations. iteration 887: trace = 2.393991520849144 (0.000254063% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393982081480052 (0.000394295% change) linmin: converged after 5 iterations. iteration 889: trace = 2.393976576528157 (0.00022995% change) large trace change predicted (0.000726596%) linmin: converged after 4 iterations. iteration 890: trace = 2.393959186647659 (0.000726404% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393946679171171 (0.000522461% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393929882918499 (0.000701616% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393910467690303 (0.000811022% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393901562763373 (0.000371983% change) linmin: converged after 8 iterations. iteration 895: trace = 2.393892916922695 (0.000361162% change) linmin: converged after 5 iterations. iteration 896: trace = 2.39389096458894 (8.15548e-05% change) large trace change predicted (0.000299648%) linmin: converged after 6 iterations. iteration 897: trace = 2.39388379195875 (0.000299623% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393878750255292 (0.000210608% change) linmin: converged after 7 iterations. iteration 899: trace = 2.393875319777359 (0.000143302% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39386880324487 (0.000272217% change) linmin: converged after 2 iterations. iteration 901: trace = 2.393865889782401 (0.000121705% change) large trace change predicted (0.000474624%) linmin: converged after 5 iterations. iteration 902: trace = 2.393854529225294 (0.000474571% change) linmin: converged after 6 iterations. iteration 903: trace = 2.393848780120372 (0.000240161% change) linmin: converged after 5 iterations. iteration 904: trace = 2.393843160881334 (0.000234737% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393835197853341 (0.000332647% change) linmin: converged after 11 iterations. iteration 906: trace = 2.393830256097682 (0.000206437% change) linmin: converged after 5 iterations. iteration 907: trace = 2.393823740035774 (0.000272203% change) large trace change predicted (0.00131531%) linmin: converged after 3 iterations. iteration 908: trace = 2.393792263317471 (0.00131492% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39377652602875 (0.000657423% change) resetting CG direction... linmin: converged after 7 iterations. iteration 910: trace = 2.39376330009675 (0.000552515% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39374238845994 (0.000873592% change) linmin: converged after 4 iterations. iteration 912: trace = 2.393735033002682 (0.000307279% change) linmin: converged after 7 iterations. iteration 913: trace = 2.39372912334381 (0.000246881% change) linmin: converged after 4 iterations. iteration 914: trace = 2.393720884439127 (0.000344188% change) linmin: converged after 5 iterations. iteration 915: trace = 2.393716308546411 (0.000191163% change) linmin: converged after 10 iterations. iteration 916: trace = 2.39371181097369 (0.000187891% change) linmin: converged after 5 iterations. iteration 917: trace = 2.393704834491148 (0.000291451% change) linmin: converged after 6 iterations. iteration 918: trace = 2.393702382984916 (0.000102415% change) large trace change predicted (0.000250766%) linmin: converged after 4 iterations. iteration 919: trace = 2.393696380507142 (0.000250762% change) linmin: converged after 4 iterations. iteration 920: trace = 2.393693777334366 (0.000108751% change) linmin: converged after 3 iterations. iteration 921: trace = 2.39369060811919 (0.000132399% change) linmin: converged after 2 iterations. iteration 922: trace = 2.393685895928552 (0.000196859% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393683127047675 (0.000115674% change) large trace change predicted (0.000244996%) linmin: converged after 5 iterations. iteration 924: trace = 2.393677261862061 (0.000245028% change) linmin: converged after 5 iterations. iteration 925: trace = 2.393669577398056 (0.000321032% change) linmin: converged after 8 iterations. iteration 926: trace = 2.393664634722948 (0.00020649% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393656868232361 (0.000324461% change) linmin: converged after 5 iterations. iteration 928: trace = 2.393649260106471 (0.000317846% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393637913421805 (0.000474034% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393627845051446 (0.000420631% change) linmin: converged after 6 iterations. iteration 931: trace = 2.393623119731646 (0.000197413% change) linmin: converged after 11 iterations. iteration 932: trace = 2.393616613529423 (0.000271814% change) linmin: converged after 3 iterations. iteration 933: trace = 2.393614699545965 (7.9962e-05% change) linmin: converged after 2 iterations. iteration 934: trace = 2.393612284235905 (0.000100906% change) linmin: converged after 7 iterations. iteration 935: trace = 2.393609583419692 (0.000112834% change) linmin: converged after 10 iterations. iteration 936: trace = 2.393608895320764 (2.87473e-05% change) large trace change predicted (7.45291e-05%) linmin: converged after 5 iterations. iteration 937: trace = 2.393607111307217 (7.45324e-05% change) linmin: converged after 4 iterations. iteration 938: trace = 2.393606501000698 (2.54974e-05% change) large trace change predicted (0.00011861%) linmin: converged after 6 iterations. iteration 939: trace = 2.393603661892658 (0.000118612% change) linmin: converged after 6 iterations. iteration 940: trace = 2.393598716417863 (0.000206612% change) linmin: converged after 5 iterations. iteration 941: trace = 2.393596074406716 (0.000110378% change) large trace change predicted (0.000302045%) linmin: converged after 3 iterations. iteration 942: trace = 2.393588844334078 (0.000302059% change) linmin: converged after 4 iterations. iteration 943: trace = 2.393579358283505 (0.000396312% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 95.1196%) iteration 944: trace = 2.393575822360091 (0.000147725% change) iteration 945: trace = 2.393568216785719 (0.00031775% change) iteration 946: trace = 2.393562163478949 (0.000252899% change) iteration 947: trace = 2.393555831042316 (0.000264562% change) iteration 948: trace = 2.393545421534929 (0.000434898% change) iteration 949: trace = 2.39354148560433 (0.000164439% change) iteration 950: trace = 2.393530090136605 (0.000476093% change) iteration 951: trace = 2.393525428819474 (0.000194747% change) iteration 952: trace = 2.393521442105416 (0.000166563% change) iteration 953: trace = 2.393517949041108 (0.000145938% change) iteration 954: trace = 2.393516567049716 (5.77389e-05% change) iteration 955: trace = 2.393513634974869 (0.000122501% change) iteration 956: trace = 2.393510409753103 (0.000134749% change) iteration 957: trace = 2.393507633336372 (0.000115998% change) iteration 958: trace = 2.393500048176001 (0.000316906% change) iteration 959: trace = 2.393494573666596 (0.000228724% change) iteration 960: trace = 2.393484317366943 (0.000428508% change) iteration 961: trace = 2.39347297644969 (0.000473826% change) iteration 962: trace = 2.393466153304926 (0.000285073% change) iteration 963: trace = 2.393452223689633 (0.000581987% change) iteration 964: trace = 2.393448648171245 (0.000149388% change) iteration 965: trace = 2.393439706556337 (0.000373588% change) iteration 966: trace = 2.393436461585829 (0.000135578% change) iteration 967: trace = 2.393428881992992 (0.000316683% change) iteration 968: trace = 2.393426385334312 (0.000104313% change) iteration 969: trace = 2.393420518828118 (0.000245109% change) iteration 970: trace = 2.393418850375418 (6.971e-05% change) iteration 971: trace = 2.393414258456787 (0.000191856% change) iteration 972: trace = 2.393413069736996 (4.96663e-05% change) iteration 973: trace = 2.39340943918386 (0.000151689% change) iteration 974: trace = 2.393408122119396 (5.50288e-05% change) iteration 975: trace = 2.39340524732925 (0.000120113% change) iteration 976: trace = 2.39340436723253 (3.67717e-05% change) iteration 977: trace = 2.393402662447942 (7.12285e-05% change) iteration 978: trace = 2.393401957214831 (2.94657e-05% change) iteration 979: trace = 2.393399492704954 (0.000102971% change) resetting CG direction... iteration 980: trace = 2.3933988356453 (2.7453e-05% change) iteration 981: trace = 2.393398008148309 (3.45741e-05% change) iteration 982: trace = 2.393396766026053 (5.18979e-05% change) iteration 983: trace = 2.393396020782374 (3.11375e-05% change) iteration 984: trace = 2.393392802495833 (0.000134465% change) iteration 985: trace = 2.39339084768771 (8.16752e-05% change) iteration 986: trace = 2.393388236216277 (0.000109112% change) iteration 987: trace = 2.393385039865925 (0.000133549% change) iteration 988: trace = 2.393383353540387 (7.04578e-05% change) iteration 989: trace = 2.393379490458711 (0.000161407% change) iteration 990: trace = 2.393377302379539 (9.14222e-05% change) iteration 991: trace = 2.393372483238574 (0.000201353% change) iteration 992: trace = 2.393365895989725 (0.000275229% change) iteration 993: trace = 2.393360599105003 (0.000221316% change) iteration 994: trace = 2.39335297869015 (0.000318399% change) iteration 995: trace = 2.393349990931699 (0.000124836% change) iteration 996: trace = 2.393343764794458 (0.000260144% change) iteration 997: trace = 2.393335641064747 (0.000339431% change) iteration 998: trace = 2.393331650816116 (0.000166723% change) iteration 999: trace = 2.39332267790406 (0.000374914% change) iteration 1000: trace = 2.393321249526481 (5.96818e-05% change) iteration 1001: trace = 2.393318592448813 (0.000111021% change) iteration 1002: trace = 2.393316854801232 (7.26041e-05% change) iteration 1003: trace = 2.393316059315332 (3.32378e-05% change) iteration 1004: trace = 2.393313821557193 (9.35004e-05% change) iteration 1005: trace = 2.393312846837952 (4.07268e-05% change) iteration 1006: trace = 2.393309417860833 (0.000143273% change) iteration 1007: trace = 2.393306666537093 (0.000114959% change) iteration 1008: trace = 2.393304566426588 (8.77494e-05% change) iteration 1009: trace = 2.39329999481359 (0.000191017% change) iteration 1010: trace = 2.393295876570928 (0.000172074% change) iteration 1011: trace = 2.393290705631082 (0.00021606% change) iteration 1012: trace = 2.393286405431323 (0.000179677% change) iteration 1013: trace = 2.393284604495468 (7.52495e-05% change) iteration 1014: trace = 2.393280083539302 (0.000188902% change) iteration 1015: trace = 2.39327761477139 (0.000103154% change) iteration 1016: trace = 2.393275956498567 (6.92888e-05% change) iteration 1017: trace = 2.393272743900362 (0.000134234% change) iteration 1018: trace = 2.393272047157814 (2.91125e-05% change) iteration 1019: trace = 2.393269824895654 (9.28546e-05% change) iteration 1020: trace = 2.393269001492822 (3.44049e-05% change) iteration 1021: trace = 2.393268544440582 (1.90974e-05% change) iteration 1022: trace = 2.393267820675048 (3.02417e-05% change) iteration 1023: trace = 2.393267286766701 (2.23088e-05% change) iteration 1024: trace = 2.393266540298907 (3.11903e-05% change) iteration 1025: trace = 2.393265225326938 (5.49447e-05% change) iteration 1026: trace = 2.393264419039596 (3.36899e-05% change) iteration 1027: trace = 2.393261752843227 (0.000111404% change) iteration 1028: trace = 2.393260047148177 (7.12708e-05% change) iteration 1029: trace = 2.393257847195369 (9.19229e-05% change) iteration 1030: trace = 2.393251407232046 (0.000269088% change) iteration 1031: trace = 2.39324998112875 (5.95885e-05% change) iteration 1032: trace = 2.393244939103518 (0.000210677% change) iteration 1033: trace = 2.39324358532329 (5.65667e-05% change) iteration 1034: trace = 2.393241757703535 (7.63658e-05% change) iteration 1035: trace = 2.39324038714624 (5.72678e-05% change) iteration 1036: trace = 2.393239918887771 (1.95659e-05% change) iteration 1037: trace = 2.393238663946369 (5.24369e-05% change) iteration 1038: trace = 2.393237626344783 (4.33556e-05% change) iteration 1039: trace = 2.393236529217895 (4.58428e-05% change) iteration 1040: trace = 2.393234333497514 (9.17469e-05% change) iteration 1041: trace = 2.393233399394783 (3.9031e-05% change) iteration 1042: trace = 2.393231966844748 (5.98584e-05% change) iteration 1043: trace = 2.393230808403805 (4.84049e-05% change) iteration 1044: trace = 2.393229265118723 (6.44854e-05% change) iteration 1045: trace = 2.393226839036322 (0.000101373% change) iteration 1046: trace = 2.393225435418008 (5.86496e-05% change) iteration 1047: trace = 2.393221313088649 (0.00017225% change) iteration 1048: trace = 2.393219656012429 (6.92404e-05% change) iteration 1049: trace = 2.393210759371772 (0.000371744% change) resetting CG direction... iteration 1050: trace = 2.393205393205448 (0.000224225% change) iteration 1051: trace = 2.393202748519204 (0.000110508% change) iteration 1052: trace = 2.393198289377809 (0.000186325% change) iteration 1053: trace = 2.393197561280342 (3.04236e-05% change) iteration 1054: trace = 2.393195022480337 (0.000106084% change) iteration 1055: trace = 2.393193674191822 (5.63384e-05% change) iteration 1056: trace = 2.393192987050606 (2.87123e-05% change) iteration 1057: trace = 2.393191813986759 (4.90167e-05% change) iteration 1058: trace = 2.393191139243147 (2.81943e-05% change) iteration 1059: trace = 2.393189892264248 (5.21053e-05% change) iteration 1060: trace = 2.393189179839304 (2.97688e-05% change) iteration 1061: trace = 2.393188147211758 (4.31486e-05% change) iteration 1062: trace = 2.393187555530055 (2.47236e-05% change) iteration 1063: trace = 2.393186940728731 (2.56896e-05% change) iteration 1064: trace = 2.393186107423906 (3.48199e-05% change) iteration 1065: trace = 2.393185652053371 (1.90278e-05% change) iteration 1066: trace = 2.393184086174232 (6.54308e-05% change) iteration 1067: trace = 2.39318341688038 (2.79667e-05% change) iteration 1068: trace = 2.393181050948358 (9.88613e-05% change) iteration 1069: trace = 2.3931797272229 (5.53124e-05% change) iteration 1070: trace = 2.393177146834459 (0.000107823% change) iteration 1071: trace = 2.393175292527514 (7.74831e-05% change) iteration 1072: trace = 2.393174248926259 (4.36074e-05% change) iteration 1073: trace = 2.393172370298017 (7.84995e-05% change) iteration 1074: trace = 2.393171910773612 (1.92015e-05% change) iteration 1075: trace = 2.393170487109667 (5.94886e-05% change) iteration 1076: trace = 2.393170304964915 (7.61102e-06% change) iteration 1077: trace = 2.393169670970961 (2.64918e-05% change) iteration 1078: trace = 2.393169492765128 (7.44644e-06% change) iteration 1079: trace = 2.393169214562995 (1.16248e-05% change) iteration 1080: trace = 2.393168842421196 (1.55502e-05% change) iteration 1081: trace = 2.393168497760502 (1.44019e-05% change) iteration 1082: trace = 2.393167378723162 (4.67597e-05% change) iteration 1083: trace = 2.393166917672819 (1.92653e-05% change) iteration 1084: trace = 2.393165174507051 (7.28393e-05% change) iteration 1085: trace = 2.393163870088246 (5.4506e-05% change) iteration 1086: trace = 2.393162746987445 (4.69296e-05% change) iteration 1087: trace = 2.393160412414618 (9.75518e-05% change) iteration 1088: trace = 2.393159717246137 (2.90481e-05% change) iteration 1089: trace = 2.393156957579587 (0.000115315% change) iteration 1090: trace = 2.393155663836422 (5.40601e-05% change) iteration 1091: trace = 2.393153617792033 (8.54957e-05% change) iteration 1092: trace = 2.393151141951885 (0.000103455% change) iteration 1093: trace = 2.393150416444713 (3.0316e-05% change) iteration 1094: trace = 2.39314896723114 (6.05567e-05% change) iteration 1095: trace = 2.393147633328896 (5.57384e-05% change) iteration 1096: trace = 2.393147180025462 (1.89417e-05% change) iteration 1097: trace = 2.393146345302601 (3.48797e-05% change) iteration 1098: trace = 2.393146071432133 (1.1444e-05% change) iteration 1099: trace = 2.393145458630821 (2.56065e-05% change) iteration 1100: trace = 2.393144347886714 (4.64136e-05% change) iteration 1101: trace = 2.393143917356206 (1.79902e-05% change) iteration 1102: trace = 2.39314061503715 (0.000137991% change) iteration 1103: trace = 2.393139750038241 (3.61449e-05% change) iteration 1104: trace = 2.393136299028958 (0.000144204% change) iteration 1105: trace = 2.39313405550244 (9.37484e-05% change) iteration 1106: trace = 2.393133290468655 (3.19679e-05% change) iteration 1107: trace = 2.393130828577388 (0.000102873% change) iteration 1108: trace = 2.393129761880168 (4.45733e-05% change) iteration 1109: trace = 2.393127476049622 (9.55164e-05% change) iteration 1110: trace = 2.393126329696798 (4.79019e-05% change) iteration 1111: trace = 2.393125701268674 (2.62597e-05% change) iteration 1112: trace = 2.3931247508004 (3.97166e-05% change) iteration 1113: trace = 2.393124365804471 (1.60876e-05% change) iteration 1114: trace = 2.393123538789657 (3.4558e-05% change) iteration 1115: trace = 2.393123022004265 (2.15946e-05% change) iteration 1116: trace = 2.393122360549544 (2.76398e-05% change) iteration 1117: trace = 2.393121733768794 (2.61909e-05% change) iteration 1118: trace = 2.393121566230382 (7.00083e-06% change) iteration 1119: trace = 2.393121209426977 (1.49095e-05% change) resetting CG direction... iteration 1120: trace = 2.393121066581142 (5.96902e-06% change) iteration 1121: trace = 2.393120994073163 (3.02985e-06% change) iteration 1122: trace = 2.393120536176238 (1.91339e-05% change) iteration 1123: trace = 2.393120314844031 (9.24869e-06% change) iteration 1124: trace = 2.393119441635431 (3.64883e-05% change) iteration 1125: trace = 2.393119027575582 (1.73021e-05% change) iteration 1126: trace = 2.393118312463816 (2.9882e-05% change) iteration 1127: trace = 2.393117566932346 (3.11531e-05% change) iteration 1128: trace = 2.393117170314429 (1.65733e-05% change) iteration 1129: trace = 2.393116066240371 (4.61354e-05% change) iteration 1130: trace = 2.393114916484133 (4.80443e-05% change) iteration 1131: trace = 2.393113832274071 (4.53054e-05% change) iteration 1132: trace = 2.39311226065092 (6.56728e-05% change) iteration 1133: trace = 2.39311169787113 (2.35167e-05% change) iteration 1134: trace = 2.393109804786469 (7.91056e-05% change) iteration 1135: trace = 2.393108709850783 (4.57537e-05% change) iteration 1136: trace = 2.393107399315104 (5.47629e-05% change) iteration 1137: trace = 2.393105743961479 (6.91717e-05% change) iteration 1138: trace = 2.393105047721527 (2.90936e-05% change) iteration 1139: trace = 2.39310397357589 (4.4885e-05% change) iteration 1140: trace = 2.393103623763264 (1.46175e-05% change) iteration 1141: trace = 2.393103196067123 (1.7872e-05% change) iteration 1142: trace = 2.39310304684928 (6.23533e-06% change) iteration 1143: trace = 2.393102678622361 (1.5387e-05% change) iteration 1144: trace = 2.393102497230732 (7.57977e-06% change) iteration 1145: trace = 2.39310188784919 (2.54641e-05% change) iteration 1146: trace = 2.393101661340468 (9.46507e-06% change) iteration 1147: trace = 2.393100856055718 (3.36503e-05% change) iteration 1148: trace = 2.393100387298405 (1.95879e-05% change) iteration 1149: trace = 2.393099287371326 (4.59624e-05% change) iteration 1150: trace = 2.393098678391299 (2.54473e-05% change) iteration 1151: trace = 2.393097439792206 (5.17571e-05% change) iteration 1152: trace = 2.39309678714437 (2.72721e-05% change) iteration 1153: trace = 2.393095764245473 (4.27437e-05% change) iteration 1154: trace = 2.393095337854532 (1.78175e-05% change) iteration 1155: trace = 2.393094478772896 (3.58984e-05% change) iteration 1156: trace = 2.393094075470739 (1.68527e-05% change) iteration 1157: trace = 2.393093409490854 (2.78292e-05% change) iteration 1158: trace = 2.393092946401213 (1.93511e-05% change) iteration 1159: trace = 2.39309243607758 (2.13249e-05% change) iteration 1160: trace = 2.393092175444117 (1.08911e-05% change) iteration 1161: trace = 2.393091752975795 (1.76537e-05% change) iteration 1162: trace = 2.393091674231169 (3.2905e-06% change) iteration 1163: trace = 2.393091470737447 (8.50338e-06% change) iteration 1164: trace = 2.393091398515432 (3.01794e-06% change) iteration 1165: trace = 2.393091238799808 (6.67403e-06% change) iteration 1166: trace = 2.393091175977428 (2.62516e-06% change) iteration 1167: trace = 2.39309103610517 (5.84484e-06% change) iteration 1168: trace = 2.393090929219355 (4.46643e-06% change) iteration 1169: trace = 2.393090793001018 (5.69215e-06% change) iteration 1170: trace = 2.393090409651094 (1.6019e-05% change) iteration 1171: trace = 2.393090275955102 (5.58675e-06% change) iteration 1172: trace = 2.393089864502461 (1.71934e-05% change) iteration 1173: trace = 2.393089628891043 (9.84549e-06% change) iteration 1174: trace = 2.393088966767986 (2.76681e-05% change) iteration 1175: trace = 2.393088614984016 (1.47e-05% change) iteration 1176: trace = 2.39308815914442 (1.90482e-05% change) iteration 1177: trace = 2.393087203474734 (3.99346e-05% change) iteration 1178: trace = 2.393086936863031 (1.11409e-05% change) iteration 1179: trace = 2.393086281590779 (2.73819e-05% change) iteration 1180: trace = 2.393086024500516 (1.0743e-05% change) iteration 1181: trace = 2.393085701190367 (1.35102e-05% change) iteration 1182: trace = 2.393085475460415 (9.43259e-06% change) iteration 1183: trace = 2.393085360680129 (4.79633e-06% change) iteration 1184: trace = 2.393085056550586 (1.27087e-05% change) iteration 1185: trace = 2.393084968118727 (3.69531e-06% change) iteration 1186: trace = 2.39308486511012 (4.30443e-06% change) iteration 1187: trace = 2.393084698774888 (6.95066e-06% change) iteration 1188: trace = 2.393084608062727 (3.7906e-06% change) iteration 1189: trace = 2.393084350868039 (1.07474e-05% change) resetting CG direction... iteration 1190: trace = 2.393084207492887 (5.99123e-06% change) iteration 1191: trace = 2.393084041057863 (6.95483e-06% change) iteration 1192: trace = 2.393083933227325 (4.50592e-06% change) iteration 1193: trace = 2.393083843021992 (3.76942e-06% change) iteration 1194: trace = 2.393083629760881 (8.91156e-06% change) iteration 1195: trace = 2.393083500767325 (5.39027e-06% change) iteration 1196: trace = 2.393083180365987 (1.33886e-05% change) iteration 1197: trace = 2.393082681790852 (2.0834e-05% change) iteration 1198: trace = 2.393082465306378 (9.04626e-06% change) iteration 1199: trace = 2.393081617547124 (3.54254e-05% change) iteration 1200: trace = 2.393081127784653 (2.04658e-05% change) iteration 1201: trace = 2.393080667257493 (1.92441e-05% change) iteration 1202: trace = 2.393079946055054 (3.0137e-05% change) iteration 1203: trace = 2.393079764433808 (7.58944e-06% change) iteration 1204: trace = 2.393079225448494 (2.25227e-05% change) iteration 1205: trace = 2.393079017213127 (8.70157e-06% change) iteration 1206: trace = 2.393078835790619 (7.58113e-06% change) iteration 1207: trace = 2.393078625665496 (8.78054e-06% change) iteration 1208: trace = 2.393078529053239 (4.03715e-06% change) iteration 1209: trace = 2.393078311284244 (9.09995e-06% change) iteration 1210: trace = 2.393078243626742 (2.82722e-06% change) iteration 1211: trace = 2.393077987418719 (1.07062e-05% change) iteration 1212: trace = 2.39307791404126 (3.06624e-06% change) iteration 1213: trace = 2.393077657463777 (1.07217e-05% change) iteration 1214: trace = 2.39307754409493 (4.73737e-06% change) iteration 1215: trace = 2.393077409277195 (5.63366e-06% change) iteration 1216: trace = 2.393077220790621 (7.87633e-06% change) iteration 1217: trace = 2.393077024031953 (8.22199e-06% change) iteration 1218: trace = 2.393076698255101 (1.36133e-05% change) iteration 1219: trace = 2.393076419505485 (1.16482e-05% change) iteration 1220: trace = 2.393075884088602 (2.23736e-05% change) iteration 1221: trace = 2.393075435551747 (1.87431e-05% change) iteration 1222: trace = 2.393074724828539 (2.96992e-05% change) iteration 1223: trace = 2.393074337369385 (1.61909e-05% change) iteration 1224: trace = 2.393073477825435 (3.5918e-05% change) iteration 1225: trace = 2.393073149904754 (1.37029e-05% change) iteration 1226: trace = 2.393072284982997 (3.61427e-05% change) iteration 1227: trace = 2.393072136297834 (6.21315e-06% change) iteration 1228: trace = 2.393071775403947 (1.50808e-05% change) iteration 1229: trace = 2.393071660310012 (4.80946e-06% change) iteration 1230: trace = 2.393071416918651 (1.01707e-05% change) iteration 1231: trace = 2.393071312262846 (4.37328e-06% change) iteration 1232: trace = 2.393070986633625 (1.36072e-05% change) iteration 1233: trace = 2.393070879846647 (4.46234e-06% change) iteration 1234: trace = 2.393070517506501 (1.51412e-05% change) iteration 1235: trace = 2.393070396763144 (5.04554e-06% change) iteration 1236: trace = 2.393070235650549 (6.73246e-06% change) iteration 1237: trace = 2.393070036454453 (8.32387e-06% change) iteration 1238: trace = 2.39306990708417 (5.40604e-06% change) iteration 1239: trace = 2.393069678918056 (9.53445e-06% change) iteration 1240: trace = 2.393069563503931 (4.82285e-06% change) iteration 1241: trace = 2.393069164765751 (1.66622e-05% change) iteration 1242: trace = 2.393069000744273 (6.85402e-06% change) iteration 1243: trace = 2.393068427517801 (2.39536e-05% change) iteration 1244: trace = 2.393067777653188 (2.71561e-05% change) iteration 1245: trace = 2.393067428982788 (1.457e-05% change) iteration 1246: trace = 2.393066824492512 (2.52601e-05% change) iteration 1247: trace = 2.39306648435805 (1.42133e-05% change) iteration 1248: trace = 2.393065815948383 (2.79311e-05% change) iteration 1249: trace = 2.393065640807908 (7.31867e-06% change) iteration 1250: trace = 2.393065038357532 (2.51748e-05% change) iteration 1251: trace = 2.393064871997189 (6.95177e-06% change) iteration 1252: trace = 2.393064626558155 (1.02563e-05% change) iteration 1253: trace = 2.393064518468169 (4.5168e-06% change) iteration 1254: trace = 2.393064444161932 (3.10507e-06% change) iteration 1255: trace = 2.393064381207311 (2.63071e-06% change) iteration 1256: trace = 2.39306435385312 (1.14306e-06% change) iteration 1257: trace = 2.393064286109772 (2.83082e-06% change) iteration 1258: trace = 2.393064253738992 (1.35269e-06% change) iteration 1259: trace = 2.393064119355544 (5.61554e-06% change) resetting CG direction... iteration 1260: trace = 2.393064040506807 (3.29489e-06% change) iteration 1261: trace = 2.393063950552689 (3.75895e-06% change) iteration 1262: trace = 2.393063908810624 (1.74429e-06% change) iteration 1263: trace = 2.393063849445153 (2.48073e-06% change) iteration 1264: trace = 2.393063689166935 (6.69762e-06% change) iteration 1265: trace = 2.393063629772042 (2.48196e-06% change) iteration 1266: trace = 2.393063368209496 (1.093e-05% change) iteration 1267: trace = 2.393062947779367 (1.75687e-05% change) iteration 1268: trace = 2.393062661065952 (1.1981e-05% change) iteration 1269: trace = 2.393062009820653 (2.72139e-05% change) iteration 1270: trace = 2.393061714531627 (1.23394e-05% change) iteration 1271: trace = 2.39306113696956 (2.41349e-05% change) iteration 1272: trace = 2.393060596036699 (2.26042e-05% change) iteration 1273: trace = 2.393060397078248 (8.31398e-06% change) iteration 1274: trace = 2.393059996315473 (1.67469e-05% change) iteration 1275: trace = 2.393059904472003 (3.83791e-06% change) iteration 1276: trace = 2.393059663532306 (1.00683e-05% change) iteration 1277: trace = 2.393059537575508 (5.26342e-06% change) iteration 1278: trace = 2.393059446895179 (3.78931e-06% change) iteration 1279: trace = 2.393059203549113 (1.01688e-05% change) iteration 1280: trace = 2.393059148478538 (2.30126e-06% change) iteration 1281: trace = 2.39305889155688 (1.07361e-05% change) iteration 1282: trace = 2.393058838181895 (2.23041e-06% change) iteration 1283: trace = 2.393058606482684 (9.68214e-06% change) iteration 1284: trace = 2.393058555288548 (2.13928e-06% change) iteration 1285: trace = 2.393058404925874 (6.28328e-06% change) iteration 1286: trace = 2.393058295871192 (4.55713e-06% change) iteration 1287: trace = 2.393057943496829 (1.47249e-05% change) iteration 1288: trace = 2.393057816468894 (5.30818e-06% change) iteration 1289: trace = 2.393057351544903 (1.9428e-05% change) iteration 1290: trace = 2.393057212617085 (5.80545e-06% change) iteration 1291: trace = 2.393056767940554 (1.85819e-05% change) iteration 1292: trace = 2.393056574580804 (8.08003e-06% change) iteration 1293: trace = 2.393056223227124 (1.46822e-05% change) iteration 1294: trace = 2.393056084866628 (5.78175e-06% change) iteration 1295: trace = 2.393055825476503 (1.08393e-05% change) iteration 1296: trace = 2.393055765501875 (2.50619e-06% change) iteration 1297: trace = 2.393055647436789 (4.93365e-06% change) iteration 1298: trace = 2.393055619837654 (1.1533e-06% change) iteration 1299: trace = 2.393055500235996 (4.99786e-06% change) iteration 1300: trace = 2.393055445519457 (2.28647e-06% change) iteration 1301: trace = 2.393055368031198 (3.23805e-06% change) iteration 1302: trace = 2.393055272872472 (3.97645e-06% change) iteration 1303: trace = 2.393055240696919 (1.34454e-06% change) iteration 1304: trace = 2.39305515370985 (3.63498e-06% change) iteration 1305: trace = 2.393055096990476 (2.37017e-06% change) iteration 1306: trace = 2.393055016217882 (3.37529e-06% change) iteration 1307: trace = 2.393054930030019 (3.60158e-06% change) iteration 1308: trace = 2.393054871136103 (2.46103e-06% change) iteration 1309: trace = 2.39305469906772 (7.19032e-06% change) iteration 1310: trace = 2.393054539118542 (6.68389e-06% change) iteration 1311: trace = 2.393054350011624 (7.90232e-06% change) iteration 1312: trace = 2.393054106087852 (1.0193e-05% change) iteration 1313: trace = 2.393053966404589 (5.83703e-06% change) iteration 1314: trace = 2.393053717204877 (1.04135e-05% change) iteration 1315: trace = 2.393053605588562 (4.66418e-06% change) iteration 1316: trace = 2.39305347077083 (5.63371e-06% change) iteration 1317: trace = 2.393053362043103 (4.54347e-06% change) iteration 1318: trace = 2.393053325817921 (1.51376e-06% change) iteration 1319: trace = 2.39305326380522 (2.59136e-06% change) iteration 1320: trace = 2.393053228214458 (1.48725e-06% change) iteration 1321: trace = 2.393053198513846 (1.24112e-06% change) iteration 1322: trace = 2.393053137758458 (2.53882e-06% change) iteration 1323: trace = 2.393053113110333 (1.02999e-06% change) iteration 1324: trace = 2.39305293810556 (7.31303e-06% change) iteration 1325: trace = 2.393052775305338 (6.80303e-06% change) iteration 1326: trace = 2.393052477697171 (1.24363e-05% change) iteration 1327: trace = 2.393051153013619 (5.53554e-05% change) iteration 1328: trace = 2.393050576450242 (2.40932e-05% change) iteration 1329: trace = 2.393048119435577 (0.000102673% change) resetting CG direction... iteration 1330: trace = 2.393047382341457 (3.08015e-05% change) iteration 1331: trace = 2.393046599118419 (3.27291e-05% change) iteration 1332: trace = 2.393045970342024 (2.62751e-05% change) iteration 1333: trace = 2.393045830873776 (5.82806e-06% change) iteration 1334: trace = 2.393045601925033 (9.56725e-06% change) iteration 1335: trace = 2.39304551907502 (3.46212e-06% change) iteration 1336: trace = 2.393045492890552 (1.09419e-06% change) iteration 1337: trace = 2.393045455377456 (1.56759e-06% change) iteration 1338: trace = 2.393045429525016 (1.08032e-06% change) iteration 1339: trace = 2.393045398916518 (1.27906e-06% change) iteration 1340: trace = 2.3930453545359 (1.85457e-06% change) iteration 1341: trace = 2.393045334307422 (8.45303e-07% change) iteration 1342: trace = 2.393045257693343 (3.20153e-06% change) iteration 1343: trace = 2.393045234925074 (9.51435e-07% change) iteration 1344: trace = 2.393045169303566 (2.74218e-06% change) iteration 1345: trace = 2.393045118531481 (2.12165e-06% change) iteration 1346: trace = 2.39304507938398 (1.63589e-06% change) iteration 1347: trace = 2.393044999877673 (3.32239e-06% change) iteration 1348: trace = 2.393044963999763 (1.49926e-06% change) iteration 1349: trace = 2.393044872444517 (3.82589e-06% change) iteration 1350: trace = 2.393044794254631 (3.26738e-06% change) iteration 1351: trace = 2.393044734615247 (2.4922e-06% change) iteration 1352: trace = 2.393044644346899 (3.77211e-06% change) iteration 1353: trace = 2.393044604968697 (1.64553e-06% change) iteration 1354: trace = 2.393044526672823 (3.27181e-06% change) iteration 1355: trace = 2.393044482883643 (1.82985e-06% change) iteration 1356: trace = 2.39304444060868 (1.76658e-06% change) iteration 1357: trace = 2.393044413002946 (1.15358e-06% change) iteration 1358: trace = 2.393044402417505 (4.42342e-07% change) iteration 1359: trace = 2.39304438373375 (7.80753e-07% change) iteration 1360: trace = 2.393044376043277 (3.21368e-07% change) iteration 1361: trace = 2.393044362475837 (5.66953e-07% change) iteration 1362: trace = 2.39304433881033 (9.88929e-07% change) iteration 1363: trace = 2.393044316396243 (9.36635e-07% change) iteration 1364: trace = 2.393044237648988 (3.29067e-06% change) iteration 1365: trace = 2.393044206514079 (1.30106e-06% change) iteration 1366: trace = 2.393044111513603 (3.96986e-06% change) iteration 1367: trace = 2.393044069474506 (1.75672e-06% change) iteration 1368: trace = 2.393043986873246 (3.45172e-06% change) iteration 1369: trace = 2.393043875846052 (4.63958e-06% change) iteration 1370: trace = 2.393043824471425 (2.14683e-06% change) iteration 1371: trace = 2.393043682776289 (5.92113e-06% change) iteration 1372: trace = 2.393043651943461 (1.28844e-06% change) iteration 1373: trace = 2.393043555766046 (4.01904e-06% change) iteration 1374: trace = 2.393043518616786 (1.55239e-06% change) iteration 1375: trace = 2.393043454191305 (2.6922e-06% change) iteration 1376: trace = 2.393043426388998 (1.1618e-06% change) iteration 1377: trace = 2.393043380837881 (1.90348e-06% change) iteration 1378: trace = 2.393043365024414 (6.6081e-07% change) iteration 1379: trace = 2.393043333882032 (1.30137e-06% change) iteration 1380: trace = 2.393043322929393 (4.57687e-07% change) iteration 1381: trace = 2.393043304990797 (7.49614e-07% change) iteration 1382: trace = 2.393043281156839 (9.95969e-07% change) iteration 1383: trace = 2.393043264685111 (6.88317e-07% change) iteration 1384: trace = 2.393043226184032 (1.60888e-06% change) iteration 1385: trace = 2.393043201438224 (1.03407e-06% change) iteration 1386: trace = 2.393043133348176 (2.84533e-06% change) iteration 1387: trace = 2.393043106777005 (1.11035e-06% change) iteration 1388: trace = 2.393043005569444 (4.22924e-06% change) iteration 1389: trace = 2.393042968603003 (1.54475e-06% change) iteration 1390: trace = 2.393042898101948 (2.94608e-06% change) iteration 1391: trace = 2.393042865259276 (1.37242e-06% change) iteration 1392: trace = 2.393042822484868 (1.78745e-06% change) iteration 1393: trace = 2.393042805490251 (7.10168e-07% change) iteration 1394: trace = 2.393042778349859 (1.13414e-06% change) iteration 1395: trace = 2.393042769973046 (3.50049e-07% change) iteration 1396: trace = 2.393042757110967 (5.37478e-07% change) iteration 1397: trace = 2.393042746944334 (4.24841e-07% change) iteration 1398: trace = 2.393042741281471 (2.36639e-07% change) iteration 1399: trace = 2.393042721274685 (8.3604e-07% change) resetting CG direction... iteration 1400: trace = 2.393042714259456 (2.93151e-07% change) iteration 1401: trace = 2.3930427038613 (4.34516e-07% change) iteration 1402: trace = 2.393042696305069 (3.15758e-07% change) iteration 1403: trace = 2.393042692180948 (1.72338e-07% change) iteration 1404: trace = 2.393042682052071 (4.23264e-07% change) iteration 1405: trace = 2.393042670983697 (4.62523e-07% change) iteration 1406: trace = 2.393042652468558 (7.73707e-07% change) iteration 1407: trace = 2.393042617298099 (1.4697e-06% change) iteration 1408: trace = 2.393042597649353 (8.21078e-07% change) iteration 1409: trace = 2.393042531183321 (2.77747e-06% change) iteration 1410: trace = 2.393042499469188 (1.32526e-06% change) iteration 1411: trace = 2.393042435881526 (2.65719e-06% change) iteration 1412: trace = 2.39304238707131 (2.03967e-06% change) iteration 1413: trace = 2.39304236143522 (1.07128e-06% change) iteration 1414: trace = 2.393042316465898 (1.87917e-06% change) iteration 1415: trace = 2.39304230390798 (5.24768e-07% change) iteration 1416: trace = 2.393042275739804 (1.17709e-06% change) iteration 1417: trace = 2.393042265802533 (4.15257e-07% change) iteration 1418: trace = 2.393042248241261 (7.33847e-07% change) iteration 1419: trace = 2.393042238348754 (4.13386e-07% change) iteration 1420: trace = 2.393042217081021 (8.88732e-07% change) iteration 1421: trace = 2.393042204263854 (5.35601e-07% change) iteration 1422: trace = 2.393042174873701 (1.22815e-06% change) iteration 1423: trace = 2.393042156138291 (7.82912e-07% change) iteration 1424: trace = 2.393042129654315 (1.10671e-06% change) iteration 1425: trace = 2.39304210217695 (1.14822e-06% change) iteration 1426: trace = 2.393042086133247 (6.70431e-07% change) iteration 1427: trace = 2.393042041592636 (1.86125e-06% change) iteration 1428: trace = 2.39304202452935 (7.13037e-07% change) iteration 1429: trace = 2.393041961941548 (2.61541e-06% change) iteration 1430: trace = 2.393041937537697 (1.01978e-06% change) iteration 1431: trace = 2.393041876369998 (2.55606e-06% change) iteration 1432: trace = 2.393041844854526 (1.31696e-06% change) iteration 1433: trace = 2.393041790265627 (2.28115e-06% change) iteration 1434: trace = 2.393041763342888 (1.12504e-06% change) iteration 1435: trace = 2.393041705302571 (2.42538e-06% change) iteration 1436: trace = 2.39304168836693 (7.07704e-07% change) iteration 1437: trace = 2.393041660592984 (1.16061e-06% change) iteration 1438: trace = 2.393041655856984 (1.97907e-07% change) iteration 1439: trace = 2.393041642898941 (5.41488e-07% change) iteration 1440: trace = 2.393041638754158 (1.73201e-07% change) iteration 1441: trace = 2.393041627767417 (4.59112e-07% change) iteration 1442: trace = 2.393041623318412 (1.85914e-07% change) iteration 1443: trace = 2.393041613473192 (4.1141e-07% change) iteration 1444: trace = 2.393041606038848 (3.10665e-07% change) iteration 1445: trace = 2.393041591386837 (6.12276e-07% change) iteration 1446: trace = 2.393041583919811 (3.12031e-07% change) iteration 1447: trace = 2.393041568234318 (6.55463e-07% change) iteration 1448: trace = 2.393041557927017 (4.3072e-07% change) iteration 1449: trace = 2.393041549328233 (3.59324e-07% change) iteration 1450: trace = 2.393041527930959 (8.94146e-07% change) iteration 1451: trace = 2.393041519095647 (3.69208e-07% change) iteration 1452: trace = 2.393041480554976 (1.61053e-06% change) iteration 1453: trace = 2.393041465990701 (6.08609e-07% change) iteration 1454: trace = 2.393041416837827 (2.05399e-06% change) iteration 1455: trace = 2.393041397649993 (8.01818e-07% change) iteration 1456: trace = 2.393041354895588 (1.78661e-06% change) iteration 1457: trace = 2.393041335363494 (8.16204e-07% change) iteration 1458: trace = 2.393041314344981 (8.78318e-07% change) iteration 1459: trace = 2.393041289693463 (1.03013e-06% change) iteration 1460: trace = 2.39304128293605 (2.82378e-07% change) iteration 1461: trace = 2.393041267093978 (6.62006e-07% change) iteration 1462: trace = 2.393041263046226 (1.69147e-07% change) iteration 1463: trace = 2.393041253230612 (4.10173e-07% change) iteration 1464: trace = 2.393041246459065 (2.82968e-07% change) iteration 1465: trace = 2.393041241540794 (2.05524e-07% change) iteration 1466: trace = 2.393041215519324 (1.08738e-06% change) iteration 1467: trace = 2.393041200946437 (6.08969e-07% change) iteration 1468: trace = 2.393041127477867 (3.07009e-06% change) iteration 1469: trace = 2.393041056099729 (2.98274e-06% change) resetting CG direction... iteration 1470: trace = 2.393041005754691 (2.10381e-06% change) iteration 1471: trace = 2.393040947080902 (2.45185e-06% change) iteration 1472: trace = 2.393040928192752 (7.89295e-07% change) iteration 1473: trace = 2.393040900394588 (1.16163e-06% change) iteration 1474: trace = 2.393040889440008 (4.57768e-07% change) iteration 1475: trace = 2.393040886827194 (1.09184e-07% change) iteration 1476: trace = 2.393040878859168 (3.32967e-07% change) iteration 1477: trace = 2.393040874026338 (2.01953e-07% change) iteration 1478: trace = 2.393040866009948 (3.34988e-07% change) iteration 1479: trace = 2.393040853545559 (5.2086e-07% change) iteration 1480: trace = 2.393040841850322 (4.88719e-07% change) iteration 1481: trace = 2.393040830609706 (4.69721e-07% change) iteration 1482: trace = 2.393040805666418 (1.04233e-06% change) iteration 1483: trace = 2.393040795839622 (4.10641e-07% change) iteration 1484: trace = 2.393040761207354 (1.44721e-06% change) iteration 1485: trace = 2.393040747292152 (5.81486e-07% change) iteration 1486: trace = 2.393040725941137 (8.92213e-07% change) iteration 1487: trace = 2.393040709893193 (6.70609e-07% change) iteration 1488: trace = 2.393040702550234 (3.06846e-07% change) iteration 1489: trace = 2.393040688707273 (5.78467e-07% change) iteration 1490: trace = 2.393040679285722 (3.93706e-07% change) iteration 1491: trace = 2.393040669924441 (3.91188e-07% change) iteration 1492: trace = 2.393040658434653 (4.80133e-07% change) iteration 1493: trace = 2.393040653529104 (2.04992e-07% change) iteration 1494: trace = 2.393040647719519 (2.4277e-07% change) iteration 1495: trace = 2.393040644336954 (1.4135e-07% change) iteration 1496: trace = 2.393040639358237 (2.0805e-07% change) iteration 1497: trace = 2.393040633301209 (2.5311e-07% change) iteration 1498: trace = 2.393040631040178 (9.44836e-08% change) iteration 1499: trace = 2.393040621781651 (3.86894e-07% change) iteration 1500: trace = 2.393040615745527 (2.52237e-07% change) iteration 1501: trace = 2.393040595910214 (8.28875e-07% change) iteration 1502: trace = 2.393040574378536 (8.99762e-07% change) iteration 1503: trace = 2.393040562730109 (4.86763e-07% change) iteration 1504: trace = 2.393040531460101 (1.30671e-06% change) iteration 1505: trace = 2.393040514275289 (7.18116e-07% change) iteration 1506: trace = 2.393040497678734 (6.93534e-07% change) iteration 1507: trace = 2.393040468591574 (1.21549e-06% change) iteration 1508: trace = 2.393040460735591 (3.28285e-07% change) iteration 1509: trace = 2.393040441068352 (8.21852e-07% change) iteration 1510: trace = 2.393040422846536 (7.6145e-07% change) iteration 1511: trace = 2.393040417226139 (2.34864e-07% change) iteration 1512: trace = 2.393040397842497 (8.10001e-07% change) iteration 1513: trace = 2.393040393381281 (1.86425e-07% change) iteration 1514: trace = 2.393040383345125 (4.19389e-07% change) iteration 1515: trace = 2.393040378591113 (1.9866e-07% change) iteration 1516: trace = 2.393040375746811 (1.18857e-07% change) iteration 1517: trace = 2.393040368661933 (2.96062e-07% change) iteration 1518: trace = 2.393040365016311 (1.52343e-07% change) iteration 1519: trace = 2.393040357245907 (3.24708e-07% change) iteration 1520: trace = 2.393040345004859 (5.11527e-07% change) iteration 1521: trace = 2.393040339024448 (2.49908e-07% change) iteration 1522: trace = 2.393040317310033 (9.07399e-07% change) iteration 1523: trace = 2.393040308140575 (3.83172e-07% change) iteration 1524: trace = 2.39304029001309 (7.57509e-07% change) iteration 1525: trace = 2.393040270058965 (8.3384e-07% change) iteration 1526: trace = 2.393040263986355 (2.53761e-07% change) iteration 1527: trace = 2.393040252411794 (4.83676e-07% change) iteration 1528: trace = 2.39304025045202 (8.18948e-08% change) iteration 1529: trace = 2.393040245436366 (2.09593e-07% change) iteration 1530: trace = 2.393040243948381 (6.21797e-08% change) iteration 1531: trace = 2.393040241418996 (1.05698e-07% change) iteration 1532: trace = 2.393040239695077 (7.20388e-08% change) iteration 1533: trace = 2.393040238426764 (5.30001e-08% change) iteration 1534: trace = 2.393040232326515 (2.54916e-07% change) iteration 1535: trace = 2.393040227174865 (2.15276e-07% change) iteration 1536: trace = 2.393040214389996 (5.34252e-07% change) iteration 1537: trace = 2.393040207525345 (2.86859e-07% change) iteration 1538: trace = 2.39304019193364 (6.51544e-07% change) iteration 1539: trace = 2.393040185311271 (2.76735e-07% change) resetting CG direction... iteration 1540: trace = 2.39304018031401 (2.08825e-07% change) iteration 1541: trace = 2.393040173849728 (2.70128e-07% change) iteration 1542: trace = 2.393040165264087 (3.58775e-07% change) iteration 1543: trace = 2.393040161482767 (1.58013e-07% change) iteration 1544: trace = 2.393040148193582 (5.55326e-07% change) iteration 1545: trace = 2.393040145602467 (1.08277e-07% change) iteration 1546: trace = 2.393040138290645 (3.05545e-07% change) iteration 1547: trace = 2.393040134361827 (1.64177e-07% change) iteration 1548: trace = 2.393040133165689 (4.99841e-08% change) iteration 1549: trace = 2.393040130942461 (9.29039e-08% change) iteration 1550: trace = 2.393040129035822 (7.96744e-08% change) iteration 1551: trace = 2.393040127541014 (6.24648e-08% change) iteration 1552: trace = 2.393040121217053 (2.64265e-07% change) iteration 1553: trace = 2.393040118452488 (1.15525e-07% change) iteration 1554: trace = 2.393040108447061 (4.18105e-07% change) iteration 1555: trace = 2.393040100863791 (3.16889e-07% change) iteration 1556: trace = 2.393040091027699 (4.11029e-07% change) iteration 1557: trace = 2.393040074616588 (6.85785e-07% change) iteration 1558: trace = 2.393040069580536 (2.10446e-07% change) iteration 1559: trace = 2.393040055538414 (5.8679e-07% change) iteration 1560: trace = 2.393040051896183 (1.52201e-07% change) iteration 1561: trace = 2.393040043321975 (3.58298e-07% change) iteration 1562: trace = 2.39304003957048 (1.56767e-07% change) iteration 1563: trace = 2.393040036156583 (1.42659e-07% change) iteration 1564: trace = 2.393040030548219 (2.34361e-07% change) iteration 1565: trace = 2.393040029128649 (5.93208e-08% change) iteration 1566: trace = 2.393040023091532 (2.52278e-07% change) iteration 1567: trace = 2.39304002091616 (9.09041e-08% change) iteration 1568: trace = 2.393040014788753 (2.56051e-07% change) iteration 1569: trace = 2.393040009359265 (2.26887e-07% change) iteration 1570: trace = 2.393040005564112 (1.58591e-07% change) iteration 1571: trace = 2.393039996351876 (3.8496e-07% change) iteration 1572: trace = 2.393039993978035 (9.91977e-08% change) iteration 1573: trace = 2.393039983968205 (4.18289e-07% change) iteration 1574: trace = 2.39303997703417 (2.89758e-07% change) iteration 1575: trace = 2.393039961911221 (6.31956e-07% change) iteration 1576: trace = 2.393039947667451 (5.95217e-07% change) iteration 1577: trace = 2.393039938645408 (3.77012e-07% change) iteration 1578: trace = 2.393039922944254 (6.56117e-07% change) iteration 1579: trace = 2.393039919026971 (1.63695e-07% change) iteration 1580: trace = 2.393039913001699 (2.51783e-07% change) iteration 1581: trace = 2.393039909910928 (1.29157e-07% change) iteration 1582: trace = 2.393039907871493 (8.52236e-08% change) iteration 1583: trace = 2.393039906086423 (7.45942e-08% change) iteration 1584: trace = 2.393039905479355 (2.53681e-08% change) iteration 1585: trace = 2.393039903813873 (6.95969e-08% change) iteration 1586: trace = 2.393039901989065 (7.62548e-08% change) iteration 1587: trace = 2.393039898709133 (1.37061e-07% change) iteration 1588: trace = 2.393039895255215 (1.44332e-07% change) iteration 1589: trace = 2.393039890092146 (2.15754e-07% change) iteration 1590: trace = 2.393039887755747 (9.76331e-08% change) iteration 1591: trace = 2.393039884826581 (1.22404e-07% change) iteration 1592: trace = 2.393039881897697 (1.22392e-07% change) iteration 1593: trace = 2.393039879802762 (8.75429e-08% change) iteration 1594: trace = 2.393039872874304 (2.89525e-07% change) iteration 1595: trace = 2.393039869988566 (1.20589e-07% change) iteration 1596: trace = 2.393039859213229 (4.50278e-07% change) iteration 1597: trace = 2.393039854869594 (1.81511e-07% change) iteration 1598: trace = 2.393039847979775 (2.87911e-07% change) iteration 1599: trace = 2.393039845510153 (1.032e-07% change) iteration 1600: trace = 2.393039838520707 (2.92074e-07% change) iteration 1601: trace = 2.393039836496564 (8.45846e-08% change) iteration 1602: trace = 2.393039830800636 (2.38021e-07% change) iteration 1603: trace = 2.393039829347376 (6.07286e-08% change) iteration 1604: trace = 2.3930398262069 (1.31234e-07% change) iteration 1605: trace = 2.39303982510883 (4.5886e-08% change) iteration 1606: trace = 2.393039823681238 (5.9656e-08% change) iteration 1607: trace = 2.393039822121388 (6.51828e-08% change) iteration 1608: trace = 2.39303982129541 (3.45159e-08% change) iteration 1609: trace = 2.393039817054828 (1.77205e-07% change) resetting CG direction... iteration 1610: trace = 2.393039815695385 (5.68082e-08% change) iteration 1611: trace = 2.393039813555435 (8.94239e-08% change) iteration 1612: trace = 2.393039812057611 (6.25908e-08% change) iteration 1613: trace = 2.393039810850393 (5.0447e-08% change) iteration 1614: trace = 2.393039808765727 (8.71137e-08% change) iteration 1615: trace = 2.393039807926216 (3.50814e-08% change) iteration 1616: trace = 2.393039804584806 (1.3963e-07% change) iteration 1617: trace = 2.393039802242318 (9.78875e-08% change) iteration 1618: trace = 2.393039797927583 (1.80304e-07% change) iteration 1619: trace = 2.393039792324998 (2.3412e-07% change) iteration 1620: trace = 2.393039790075045 (9.40207e-08% change) iteration 1621: trace = 2.393039783177182 (2.88247e-07% change) iteration 1622: trace = 2.393039777538527 (2.35627e-07% change) iteration 1623: trace = 2.393039772816988 (1.97303e-07% change) iteration 1624: trace = 2.393039766618869 (2.59006e-07% change) iteration 1625: trace = 2.39303976446885 (8.98447e-08% change) iteration 1626: trace = 2.393039760713452 (1.5693e-07% change) iteration 1627: trace = 2.39303975906031 (6.90813e-08% change) iteration 1628: trace = 2.393039757337657 (7.19859e-08% change) iteration 1629: trace = 2.393039753002763 (1.81146e-07% change) iteration 1630: trace = 2.393039752031159 (4.06013e-08% change) iteration 1631: trace = 2.39303974805455 (1.66174e-07% change) iteration 1632: trace = 2.393039747063068 (4.14319e-08% change) iteration 1633: trace = 2.393039746277373 (3.28325e-08% change) iteration 1634: trace = 2.393039744944493 (5.56982e-08% change) iteration 1635: trace = 2.393039744182244 (3.18527e-08% change) iteration 1636: trace = 2.393039742885799 (5.41756e-08% change) iteration 1637: trace = 2.393039740056067 (1.18248e-07% change) iteration 1638: trace = 2.393039738355139 (7.10782e-08% change) iteration 1639: trace = 2.393039730650514 (3.2196e-07% change) iteration 1640: trace = 2.393039726495549 (1.73627e-07% change) iteration 1641: trace = 2.393039719496319 (2.92483e-07% change) iteration 1642: trace = 2.393039708792343 (4.47296e-07% change) iteration 1643: trace = 2.393039706068711 (1.13815e-07% change) iteration 1644: trace = 2.393039699178045 (2.87946e-07% change) iteration 1645: trace = 2.393039696147987 (1.2662e-07% change) iteration 1646: trace = 2.39303969361112 (1.0601e-07% change) iteration 1647: trace = 2.393039690414225 (1.33591e-07% change) iteration 1648: trace = 2.393039689066983 (5.62984e-08% change) iteration 1649: trace = 2.393039687058534 (8.39288e-08% change) iteration 1650: trace = 2.393039684263537 (1.16797e-07% change) iteration 1651: trace = 2.39303968364359 (2.59062e-08% change) iteration 1652: trace = 2.393039680867306 (1.16015e-07% change) iteration 1653: trace = 2.393039679622191 (5.20307e-08% change) iteration 1654: trace = 2.393039678156073 (6.12659e-08% change) iteration 1655: trace = 2.39303967452674 (1.51662e-07% change) iteration 1656: trace = 2.393039673480764 (4.37091e-08% change) iteration 1657: trace = 2.393039669123294 (1.82089e-07% change) iteration 1658: trace = 2.393039666698223 (1.01339e-07% change) iteration 1659: trace = 2.393039662878494 (1.59618e-07% change) iteration 1660: trace = 2.393039658698631 (1.74668e-07% change) iteration 1661: trace = 2.393039656744218 (8.16707e-08% change) iteration 1662: trace = 2.393039651617788 (2.14223e-07% change) iteration 1663: trace = 2.393039648670239 (1.23172e-07% change) iteration 1664: trace = 2.393039647027301 (6.86548e-08% change) iteration 1665: trace = 2.393039645342368 (7.04097e-08% change) iteration 1666: trace = 2.393039644975103 (1.53472e-08% change) iteration 1667: trace = 2.393039644292202 (2.8537e-08% change) iteration 1668: trace = 2.393039643984116 (1.28742e-08% change) iteration 1669: trace = 2.393039643352694 (2.63858e-08% change) iteration 1670: trace = 2.393039642545189 (3.37439e-08% change) iteration 1671: trace = 2.393039641798757 (3.11918e-08% change) iteration 1672: trace = 2.39303963940346 (1.00094e-07% change) iteration 1673: trace = 2.393039637489761 (7.99694e-08% change) iteration 1674: trace = 2.393039634894682 (1.08443e-07% change) iteration 1675: trace = 2.393039633735652 (4.84334e-08% change) iteration 1676: trace = 2.393039631400586 (9.75774e-08% change) iteration 1677: trace = 2.393039630204386 (4.99866e-08% change) iteration 1678: trace = 2.393039622864508 (3.06718e-07% change) iteration 1679: trace = 2.393039620327328 (1.06023e-07% change) resetting CG direction... iteration 1680: trace = 2.393039617914917 (1.00809e-07% change) iteration 1681: trace = 2.393039613024991 (2.0434e-07% change) iteration 1682: trace = 2.393039611193125 (7.65497e-08% change) iteration 1683: trace = 2.393039609814003 (5.76306e-08% change) iteration 1684: trace = 2.393039606633345 (1.32913e-07% change) iteration 1685: trace = 2.393039605315645 (5.50638e-08% change) iteration 1686: trace = 2.393039602985673 (9.73645e-08% change) iteration 1687: trace = 2.393039601583181 (5.86072e-08% change) iteration 1688: trace = 2.393039600764163 (3.4225e-08% change) iteration 1689: trace = 2.393039600013887 (3.13524e-08% change) iteration 1690: trace = 2.393039599798039 (9.01982e-09% change) iteration 1691: trace = 2.393039599350371 (1.87071e-08% change) iteration 1692: trace = 2.393039598865702 (2.02533e-08% change) iteration 1693: trace = 2.393039598295508 (2.38272e-08% change) iteration 1694: trace = 2.393039596773959 (6.35823e-08% change) iteration 1695: trace = 2.393039596170234 (2.52284e-08% change) iteration 1696: trace = 2.393039592775936 (1.4184e-07% change) iteration 1697: trace = 2.393039590254801 (1.05353e-07% change) iteration 1698: trace = 2.393039588684844 (6.56051e-08% change) iteration 1699: trace = 2.393039584756381 (1.64162e-07% change) iteration 1700: trace = 2.393039583363674 (5.81983e-08% change) iteration 1701: trace = 2.393039580953177 (1.00729e-07% change) iteration 1702: trace = 2.393039578468547 (1.03827e-07% change) iteration 1703: trace = 2.393039577265232 (5.0284e-08% change) iteration 1704: trace = 2.393039575922249 (5.61204e-08% change) iteration 1705: trace = 2.393039574964073 (4.00401e-08% change) iteration 1706: trace = 2.393039573882892 (4.51802e-08% change) iteration 1707: trace = 2.393039572641094 (5.18921e-08% change) iteration 1708: trace = 2.393039572089518 (2.30492e-08% change) iteration 1709: trace = 2.393039571014371 (4.49281e-08% change) iteration 1710: trace = 2.393039570486167 (2.20725e-08% change) iteration 1711: trace = 2.393039569121932 (5.70085e-08% change) iteration 1712: trace = 2.393039567880228 (5.18882e-08% change) iteration 1713: trace = 2.393039566812857 (4.46031e-08% change) iteration 1714: trace = 2.393039564651 (9.03394e-08% change) iteration 1715: trace = 2.393039563821744 (3.46528e-08% change) iteration 1716: trace = 2.393039559930024 (1.62627e-07% change) iteration 1717: trace = 2.393039558230512 (7.1019e-08% change) iteration 1718: trace = 2.393039555423591 (1.17295e-07% change) iteration 1719: trace = 2.393039551649554 (1.57709e-07% change) iteration 1720: trace = 2.3930395504557 (4.98886e-08% change) iteration 1721: trace = 2.393039547380347 (1.28512e-07% change) iteration 1722: trace = 2.393039546895541 (2.0259e-08% change) iteration 1723: trace = 2.393039546134512 (3.18018e-08% change) iteration 1724: trace = 2.39303954573552 (1.6673e-08% change) iteration 1725: trace = 2.393039545532112 (8.5e-09% change) iteration 1726: trace = 2.393039545120647 (1.71942e-08% change) iteration 1727: trace = 2.393039544595153 (2.19593e-08% change) iteration 1728: trace = 2.393039543872171 (3.02119e-08% change) iteration 1729: trace = 2.393039542508705 (5.69763e-08% change) iteration 1730: trace = 2.393039541995551 (2.14436e-08% change) iteration 1731: trace = 2.39303954103968 (3.99438e-08% change) iteration 1732: trace = 2.393039540131974 (3.79311e-08% change) iteration 1733: trace = 2.39303953943757 (2.90176e-08% change) iteration 1734: trace = 2.393039537774655 (6.94897e-08% change) iteration 1735: trace = 2.393039537171895 (2.5188e-08% change) iteration 1736: trace = 2.39303953552348 (6.88837e-08% change) iteration 1737: trace = 2.393039533655009 (7.80794e-08% change) iteration 1738: trace = 2.393039532655632 (4.17618e-08% change) iteration 1739: trace = 2.393039530973867 (7.02774e-08% change) iteration 1740: trace = 2.393039529350556 (6.78347e-08% change) iteration 1741: trace = 2.393039527993032 (5.6728e-08% change) iteration 1742: trace = 2.393039527023004 (4.05354e-08% change) iteration 1743: trace = 2.393039526762988 (1.08655e-08% change) iteration 1744: trace = 2.393039526227292 (2.23856e-08% change) iteration 1745: trace = 2.393039525932975 (1.22989e-08% change) iteration 1746: trace = 2.393039525617466 (1.31845e-08% change) iteration 1747: trace = 2.393039524926403 (2.88781e-08% change) iteration 1748: trace = 2.393039524527355 (1.66753e-08% change) iteration 1749: trace = 2.393039522696462 (7.65091e-08% change) resetting CG direction... iteration 1750: trace = 2.393039521833137 (3.60765e-08% change) iteration 1751: trace = 2.393039521295738 (2.24567e-08% change) iteration 1752: trace = 2.393039520440663 (3.57318e-08% change) iteration 1753: trace = 2.393039520152803 (1.2029e-08% change) iteration 1754: trace = 2.393039519689032 (1.938e-08% change) iteration 1755: trace = 2.393039519206071 (2.01819e-08% change) iteration 1756: trace = 2.393039518992356 (8.93072e-09% change) iteration 1757: trace = 2.393039518482236 (2.13168e-08% change) iteration 1758: trace = 2.393039518162748 (1.33507e-08% change) iteration 1759: trace = 2.393039517332992 (3.46737e-08% change) iteration 1760: trace = 2.393039516045465 (5.3803e-08% change) iteration 1761: trace = 2.393039515337963 (2.9565e-08% change) iteration 1762: trace = 2.39303951301905 (9.69024e-08% change) iteration 1763: trace = 2.393039512560999 (1.9141e-08% change) iteration 1764: trace = 2.393039511006936 (6.4941e-08% change) iteration 1765: trace = 2.393039510330874 (2.82512e-08% change) iteration 1766: trace = 2.393039509694533 (2.65914e-08% change) iteration 1767: trace = 2.393039508563727 (4.72539e-08% change) iteration 1768: trace = 2.393039508265808 (1.24494e-08% change) iteration 1769: trace = 2.393039507106578 (4.84418e-08% change) iteration 1770: trace = 2.393039506717355 (1.62648e-08% change) iteration 1771: trace = 2.39303950617166 (2.28034e-08% change) iteration 1772: trace = 2.393039505547288 (2.60911e-08% change) iteration 1773: trace = 2.393039505328963 (9.12333e-09% change) iteration 1774: trace = 2.393039504965089 (1.52055e-08% change) iteration 1775: trace = 2.393039504730694 (9.79487e-09% change) iteration 1776: trace = 2.393039504464423 (1.11269e-08% change) iteration 1777: trace = 2.393039504126665 (1.41142e-08% change) iteration 1778: trace = 2.393039503928193 (8.29372e-09% change) iteration 1779: trace = 2.393039503042989 (3.69908e-08% change) iteration 1780: trace = 2.393039502465735 (2.41222e-08% change) iteration 1781: trace = 2.393039501410587 (4.40924e-08% change) iteration 1782: trace = 2.393039499488772 (8.03085e-08% change) iteration 1783: trace = 2.393039498840191 (2.71028e-08% change) iteration 1784: trace = 2.393039496589106 (9.4068e-08% change) iteration 1785: trace = 2.393039496093231 (2.07215e-08% change) iteration 1786: trace = 2.393039494805028 (5.38313e-08% change) iteration 1787: trace = 2.393039494251819 (2.31174e-08% change) iteration 1788: trace = 2.393039493591878 (2.75775e-08% change) iteration 1789: trace = 2.393039492380208 (5.06331e-08% change) iteration 1790: trace = 2.393039491951249 (1.79253e-08% change) iteration 1791: trace = 2.393039491206525 (3.11204e-08% change) iteration 1792: trace = 2.393039491013628 (8.06076e-09% change) iteration 1793: trace = 2.393039490437453 (2.40771e-08% change) iteration 1794: trace = 2.393039490228115 (8.74778e-09% change) iteration 1795: trace = 2.393039489908602 (1.33518e-08% change) iteration 1796: trace = 2.393039489451785 (1.90894e-08% change) iteration 1797: trace = 2.393039489256207 (8.17281e-09% change) iteration 1798: trace = 2.393039488501029 (3.15572e-08% change) iteration 1799: trace = 2.393039488265762 (9.83134e-09% change) iteration 1800: trace = 2.393039487279407 (4.12177e-08% change) iteration 1801: trace = 2.393039486629776 (2.71467e-08% change) iteration 1802: trace = 2.393039485678874 (3.97362e-08% change) iteration 1803: trace = 2.393039484366439 (5.48438e-08% change) iteration 1804: trace = 2.393039483815609 (2.3018e-08% change) iteration 1805: trace = 2.39303948257013 (5.20459e-08% change) iteration 1806: trace = 2.393039482299652 (1.13027e-08% change) iteration 1807: trace = 2.393039481666096 (2.6475e-08% change) iteration 1808: trace = 2.393039481453315 (8.89164e-09% change) iteration 1809: trace = 2.393039481261228 (8.02693e-09% change) iteration 1810: trace = 2.393039481115094 (6.10662e-09% change) iteration 1811: trace = 2.39303948105641 (2.45227e-09% change) iteration 1812: trace = 2.393039480865387 (7.98243e-09% change) iteration 1813: trace = 2.393039480786771 (3.2852e-09% change) iteration 1814: trace = 2.393039480255245 (2.22113e-08% change) iteration 1815: trace = 2.393039479950875 (1.2719e-08% change) iteration 1816: trace = 2.393039479440493 (2.13278e-08% change) iteration 1817: trace = 2.393039478535474 (3.78188e-08% change) iteration 1818: trace = 2.393039478148631 (1.61653e-08% change) iteration 1819: trace = 2.393039477234321 (3.82071e-08% change) resetting CG direction... iteration 1820: trace = 2.393039476998935 (9.83629e-09% change) iteration 1821: trace = 2.393039476538656 (1.92341e-08% change) iteration 1822: trace = 2.393039475698548 (3.51063e-08% change) iteration 1823: trace = 2.39303947537424 (1.35521e-08% change) iteration 1824: trace = 2.393039474784386 (2.46488e-08% change) iteration 1825: trace = 2.393039474303844 (2.00808e-08% change) iteration 1826: trace = 2.393039474165443 (5.78348e-09% change) iteration 1827: trace = 2.393039473848176 (1.32579e-08% change) iteration 1828: trace = 2.39303947374085 (4.48489e-09% change) iteration 1829: trace = 2.393039473610035 (5.46651e-09% change) iteration 1830: trace = 2.393039473458566 (6.32953e-09% change) iteration 1831: trace = 2.39303947338295 (3.15985e-09% change) iteration 1832: trace = 2.393039473138997 (1.01943e-08% change) iteration 1833: trace = 2.393039472852074 (1.19899e-08% change) iteration 1834: trace = 2.393039472567923 (1.1874e-08% change) iteration 1835: trace = 2.393039471833188 (3.0703e-08% change) iteration 1836: trace = 2.393039471395865 (1.82748e-08% change) iteration 1837: trace = 2.393039470698687 (2.91336e-08% change) iteration 1838: trace = 2.393039469297117 (5.85686e-08% change) iteration 1839: trace = 2.393039468965092 (1.38746e-08% change) iteration 1840: trace = 2.393039468149443 (3.40842e-08% change) iteration 1841: trace = 2.393039467929504 (9.19077e-09% change) iteration 1842: trace = 2.393039467615335 (1.31285e-08% change) iteration 1843: trace = 2.393039467379511 (9.85457e-09% change) iteration 1844: trace = 2.393039467291376 (3.68298e-09% change) iteration 1845: trace = 2.393039467068618 (9.30855e-09% change) iteration 1846: trace = 2.393039466756113 (1.30589e-08% change) iteration 1847: trace = 2.393039466590571 (6.91764e-09% change) iteration 1848: trace = 2.393039465998003 (2.47622e-08% change) iteration 1849: trace = 2.393039465811293 (7.8022e-09% change) iteration 1850: trace = 2.393039465441027 (1.54726e-08% change) iteration 1851: trace = 2.393039464880358 (2.34292e-08% change) iteration 1852: trace = 2.393039464699143 (7.57261e-09% change) iteration 1853: trace = 2.393039463944058 (3.15534e-08% change) iteration 1854: trace = 2.393039463591593 (1.47288e-08% change) iteration 1855: trace = 2.393039462572408 (4.25895e-08% change) iteration 1856: trace = 2.393039461765176 (3.37325e-08% change) iteration 1857: trace = 2.393039461418947 (1.44682e-08% change) iteration 1858: trace = 2.393039460861214 (2.33064e-08% change) iteration 1859: trace = 2.393039460490942 (1.54729e-08% change) iteration 1860: trace = 2.393039460390874 (4.18163e-09% change) iteration 1861: trace = 2.393039460213263 (7.42196e-09% change) iteration 1862: trace = 2.393039460169367 (1.83434e-09% change) iteration 1863: trace = 2.393039460084732 (3.53671e-09% change) iteration 1864: trace = 2.393039459922101 (6.79599e-09% change) iteration 1865: trace = 2.393039459850219 (3.00382e-09% change) iteration 1866: trace = 2.393039459625633 (9.38496e-09% change) iteration 1867: trace = 2.393039459454734 (7.1415e-09% change) iteration 1868: trace = 2.393039459231361 (9.33427e-09% change) iteration 1869: trace = 2.393039458870422 (1.50829e-08% change) iteration 1870: trace = 2.393039458629953 (1.00487e-08% change) iteration 1871: trace = 2.393039458309498 (1.33911e-08% change) iteration 1872: trace = 2.393039458143793 (6.92449e-09% change) iteration 1873: trace = 2.393039457771212 (1.55693e-08% change) iteration 1874: trace = 2.393039457631759 (5.82748e-09% change) iteration 1875: trace = 2.393039457091979 (2.25562e-08% change) iteration 1876: trace = 2.39303945690285 (7.90328e-09% change) iteration 1877: trace = 2.393039456479856 (1.7676e-08% change) iteration 1878: trace = 2.393039456213505 (1.11303e-08% change) iteration 1879: trace = 2.393039455974409 (9.99129e-09% change) iteration 1880: trace = 2.393039455697833 (1.15575e-08% change) iteration 1881: trace = 2.393039455562497 (5.65543e-09% change) iteration 1882: trace = 2.393039455399974 (6.79148e-09% change) iteration 1883: trace = 2.393039455334469 (2.73731e-09% change) iteration 1884: trace = 2.393039455171622 (6.80501e-09% change) iteration 1885: trace = 2.39303945512436 (1.97497e-09% change) iteration 1886: trace = 2.393039454992893 (5.49372e-09% change) iteration 1887: trace = 2.393039454928908 (2.67383e-09% change) iteration 1888: trace = 2.393039454754767 (7.27697e-09% change) iteration 1889: trace = 2.393039454539382 (9.00046e-09% change) resetting CG direction... iteration 1890: trace = 2.393039454377111 (6.78098e-09% change) iteration 1891: trace = 2.393039454174017 (8.48684e-09% change) iteration 1892: trace = 2.393039454061489 (4.70231e-09% change) iteration 1893: trace = 2.393039453997619 (2.669e-09% change) iteration 1894: trace = 2.393039453855281 (5.94801e-09% change) iteration 1895: trace = 2.393039453798169 (2.38659e-09% change) iteration 1896: trace = 2.393039453642891 (6.48874e-09% change) iteration 1897: trace = 2.393039453406457 (9.88005e-09% change) iteration 1898: trace = 2.39303945329832 (4.51883e-09% change) iteration 1899: trace = 2.393039452994136 (1.27112e-08% change) iteration 1900: trace = 2.393039452784437 (8.76287e-09% change) iteration 1901: trace = 2.393039452460689 (1.35288e-08% change) iteration 1902: trace = 2.393039452233892 (9.47737e-09% change) iteration 1903: trace = 2.393039451980442 (1.05911e-08% change) iteration 1904: trace = 2.393039451802894 (7.41934e-09% change) iteration 1905: trace = 2.393039451586347 (9.04905e-09% change) iteration 1906: trace = 2.393039451437688 (6.21215e-09% change) iteration 1907: trace = 2.393039451216275 (9.25236e-09% change) iteration 1908: trace = 2.393039451034902 (7.57918e-09% change) iteration 1909: trace = 2.393039450887532 (6.1583e-09% change) iteration 1910: trace = 2.393039450629148 (1.07973e-08% change) iteration 1911: trace = 2.39303945053697 (3.85191e-09% change) iteration 1912: trace = 2.393039450396565 (5.86723e-09% change) iteration 1913: trace = 2.393039450316703 (3.33729e-09% change) iteration 1914: trace = 2.393039450222758 (3.92575e-09% change) iteration 1915: trace = 2.393039450176518 (1.93227e-09% change) iteration 1916: trace = 2.393039450095251 (3.39596e-09% change) iteration 1917: trace = 2.393039450073392 (9.13439e-10% change) iteration 1918: trace = 2.393039449968538 (4.38164e-09% change) iteration 1919: trace = 2.393039449925762 (1.7875e-09% change) iteration 1920: trace = 2.393039449774064 (6.33914e-09% change) iteration 1921: trace = 2.393039449519201 (1.06502e-08% change) iteration 1922: trace = 2.393039449369744 (6.24548e-09% change) iteration 1923: trace = 2.393039448922906 (1.86724e-08% change) iteration 1924: trace = 2.393039448629559 (1.22584e-08% change) iteration 1925: trace = 2.393039448188392 (1.84354e-08% change) iteration 1926: trace = 2.393039447773129 (1.7353e-08% change) iteration 1927: trace = 2.393039447644143 (5.39006e-09% change) iteration 1928: trace = 2.39303944738259 (1.09297e-08% change) iteration 1929: trace = 2.393039447278221 (4.36136e-09% change) iteration 1930: trace = 2.39303944710621 (7.18798e-09% change) iteration 1931: trace = 2.393039446967852 (5.78168e-09% change) iteration 1932: trace = 2.393039446831564 (5.6952e-09% change) iteration 1933: trace = 2.393039446705688 (5.26008e-09% change) iteration 1934: trace = 2.393039446597361 (4.52678e-09% change) iteration 1935: trace = 2.393039446527931 (2.90132e-09% change) iteration 1936: trace = 2.393039446444595 (3.48241e-09% change) iteration 1937: trace = 2.393039446376627 (2.84027e-09% change) iteration 1938: trace = 2.393039446322768 (2.25066e-09% change) iteration 1939: trace = 2.393039446240118 (3.45374e-09% change) iteration 1940: trace = 2.393039446116098 (5.18255e-09% change) iteration 1941: trace = 2.393039446007381 (4.54303e-09% change) iteration 1942: trace = 2.393039445819242 (7.86194e-09% change) iteration 1943: trace = 2.393039445628654 (7.96426e-09% change) iteration 1944: trace = 2.393039445449853 (7.47171e-09% change) iteration 1945: trace = 2.393039445037316 (1.7239e-08% change) iteration 1946: trace = 2.393039444886101 (6.31893e-09% change) iteration 1947: trace = 2.393039444622257 (1.10255e-08% change) iteration 1948: trace = 2.393039444535069 (3.6434e-09% change) iteration 1949: trace = 2.393039444335662 (8.3328e-09% change) iteration 1950: trace = 2.393039444297692 (1.58667e-09% change) iteration 1951: trace = 2.393039444208918 (3.70969e-09% change) iteration 1952: trace = 2.393039444151855 (2.38453e-09% change) iteration 1953: trace = 2.393039444132177 (8.22322e-10% change) iteration 1954: trace = 2.39303944407561 (2.36382e-09% change) iteration 1955: trace = 2.393039444059652 (6.66828e-10% change) iteration 1956: trace = 2.393039443992532 (2.80482e-09% change) iteration 1957: trace = 2.393039443946289 (1.93238e-09% change) iteration 1958: trace = 2.393039443887571 (2.4537e-09% change) iteration 1959: trace = 2.393039443672767 (8.97621e-09% change) resetting CG direction... iteration 1960: trace = 2.393039443620424 (2.1873e-09% change) iteration 1961: trace = 2.393039443517324 (4.30834e-09% change) iteration 1962: trace = 2.393039443471077 (1.93256e-09% change) iteration 1963: trace = 2.393039443443138 (1.16749e-09% change) iteration 1964: trace = 2.393039443389939 (2.22308e-09% change) iteration 1965: trace = 2.393039443358329 (1.32093e-09% change) iteration 1966: trace = 2.39303944327568 (3.45371e-09% change) iteration 1967: trace = 2.393039443249751 (1.08354e-09% change) iteration 1968: trace = 2.393039443150745 (4.13722e-09% change) iteration 1969: trace = 2.393039443126209 (1.02532e-09% change) iteration 1970: trace = 2.393039443070808 (2.31509e-09% change) iteration 1971: trace = 2.393039443028815 (1.75478e-09% change) iteration 1972: trace = 2.393039442967861 (2.54715e-09% change) iteration 1973: trace = 2.393039442908489 (2.48101e-09% change) iteration 1974: trace = 2.393039442812728 (4.00167e-09% change) iteration 1975: trace = 2.393039442733071 (3.3287e-09% change) iteration 1976: trace = 2.393039442591341 (5.92258e-09% change) iteration 1977: trace = 2.393039442485221 (4.43453e-09% change) iteration 1978: trace = 2.39303944233862 (6.12612e-09% change) iteration 1979: trace = 2.393039442177868 (6.71751e-09% change) iteration 1980: trace = 2.393039442012103 (6.92695e-09% change) iteration 1981: trace = 2.393039441800497 (8.84257e-09% change) iteration 1982: trace = 2.393039441696601 (4.34155e-09% change) iteration 1983: trace = 2.393039441522837 (7.26125e-09% change) iteration 1984: trace = 2.39303944145097 (3.00315e-09% change) iteration 1985: trace = 2.393039441356462 (3.94932e-09% change) iteration 1986: trace = 2.39303944132615 (1.26666e-09% change) iteration 1987: trace = 2.393039441275039 (2.13582e-09% change) iteration 1988: trace = 2.393039441248876 (1.0933e-09% change) iteration 1989: trace = 2.393039441190019 (2.4595e-09% change) iteration 1990: trace = 2.393039441139368 (2.1166e-09% change) iteration 1991: trace = 2.393039441063256 (3.18054e-09% change) iteration 1992: trace = 2.393039440905933 (6.57421e-09% change) iteration 1993: trace = 2.393039440811799 (3.93364e-09% change) iteration 1994: trace = 2.393039440552801 (1.0823e-08% change) iteration 1995: trace = 2.393039440332176 (9.21942e-09% change) iteration 1996: trace = 2.393039440119745 (8.87705e-09% change) iteration 1997: trace = 2.393039439958121 (6.7539e-09% change) iteration 1998: trace = 2.393039439885535 (3.03325e-09% change) iteration 1999: trace = 2.393039439783152 (4.27833e-09% change) iteration 2000: trace = 2.393039439743016 (1.67721e-09% change) iteration 2001: trace = 2.393039439652718 (3.77336e-09% change) iteration 2002: trace = 2.393039439612139 (1.6957e-09% change) iteration 2003: trace = 2.393039439534443 (3.24675e-09% change) iteration 2004: trace = 2.393039439492857 (1.7378e-09% change) iteration 2005: trace = 2.393039439459079 (1.4115e-09% change) iteration 2006: trace = 2.393039439422807 (1.51572e-09% change) iteration 2007: trace = 2.393039439404304 (7.732e-10% change) iteration 2008: trace = 2.39303943937686 (1.14686e-09% change) iteration 2009: trace = 2.39303943936674 (4.22871e-10% change) iteration 2010: trace = 2.393039439308775 (2.42222e-09% change) iteration 2011: trace = 2.393039439291258 (7.32039e-10% change) iteration 2012: trace = 2.393039439213216 (3.26117e-09% change) iteration 2013: trace = 2.393039439176612 (1.52962e-09% change) iteration 2014: trace = 2.393039439071273 (4.40187e-09% change) iteration 2015: trace = 2.393039439006115 (2.72282e-09% change) iteration 2016: trace = 2.393039438841065 (6.89711e-09% change) iteration 2017: trace = 2.393039438755292 (3.58428e-09% change) iteration 2018: trace = 2.393039438595776 (6.66581e-09% change) iteration 2019: trace = 2.393039438514168 (3.41024e-09% change) iteration 2020: trace = 2.393039438451868 (2.60338e-09% change) iteration 2021: trace = 2.393039438373589 (3.2711e-09% change) iteration 2022: trace = 2.39303943835018 (9.78224e-10% change) iteration 2023: trace = 2.393039438279661 (2.94681e-09% change) iteration 2024: trace = 2.39303943826062 (7.95692e-10% change) iteration 2025: trace = 2.393039438209557 (2.1338e-09% change) iteration 2026: trace = 2.393039438158476 (2.1346e-09% change) iteration 2027: trace = 2.393039438134256 (1.01207e-09% change) iteration 2028: trace = 2.393039438056424 (3.25245e-09% change) iteration 2029: trace = 2.393039438038615 (7.44213e-10% change) resetting CG direction... iteration 2030: trace = 2.393039438025571 (5.45072e-10% change) iteration 2031: trace = 2.39303943798916 (1.52151e-09% change) iteration 2032: trace = 2.39303943796669 (9.38993e-10% change) iteration 2033: trace = 2.393039437943771 (9.57736e-10% change) iteration 2034: trace = 2.39303943790383 (1.66906e-09% change) iteration 2035: trace = 2.393039437887 (7.03275e-10% change) iteration 2036: trace = 2.393039437815398 (2.99209e-09% change) iteration 2037: trace = 2.393039437743465 (3.00595e-09% change) iteration 2038: trace = 2.393039437690622 (2.20816e-09% change) iteration 2039: trace = 2.393039437580581 (4.59839e-09% change) iteration 2040: trace = 2.393039437504803 (3.16662e-09% change) iteration 2041: trace = 2.393039437418539 (3.60478e-09% change) iteration 2042: trace = 2.393039437309873 (4.54092e-09% change) iteration 2043: trace = 2.393039437279399 (1.27344e-09% change) iteration 2044: trace = 2.393039437180984 (4.11255e-09% change) iteration 2045: trace = 2.393039437157331 (9.88412e-10% change) iteration 2046: trace = 2.393039437086601 (2.95566e-09% change) iteration 2047: trace = 2.393039437039012 (1.98861e-09% change) iteration 2048: trace = 2.393039437003106 (1.50045e-09% change) iteration 2049: trace = 2.393039436953451 (2.07497e-09% change) iteration 2050: trace = 2.393039436940334 (5.48115e-10% change) iteration 2051: trace = 2.393039436892391 (2.00347e-09% change) iteration 2052: trace = 2.393039436883999 (3.50663e-10% change) iteration 2053: trace = 2.393039436852013 (1.33664e-09% change) iteration 2054: trace = 2.39303943683387 (7.58131e-10% change) iteration 2055: trace = 2.393039436823413 (4.36993e-10% change) iteration 2056: trace = 2.393039436793783 (1.23818e-09% change) iteration 2057: trace = 2.39303943677891 (6.21492e-10% change) iteration 2058: trace = 2.393039436722745 (2.34701e-09% change) iteration 2059: trace = 2.393039436664538 (2.43236e-09% change) iteration 2060: trace = 2.393039436625106 (1.6478e-09% change) iteration 2061: trace = 2.393039436416898 (8.70055e-09% change) iteration 2062: trace = 2.393039436360107 (2.37319e-09% change) iteration 2063: trace = 2.393039436217782 (5.94743e-09% change) iteration 2064: trace = 2.393039436136884 (3.38057e-09% change) iteration 2065: trace = 2.393039436078384 (2.44458e-09% change) iteration 2066: trace = 2.39303943601975 (2.45019e-09% change) iteration 2067: trace = 2.393039435999868 (8.3084e-10% change) iteration 2068: trace = 2.393039435952017 (1.99957e-09% change) iteration 2069: trace = 2.393039435926426 (1.06938e-09% change) iteration 2070: trace = 2.393039435885469 (1.71151e-09% change) iteration 2071: trace = 2.393039435859945 (1.06659e-09% change) iteration 2072: trace = 2.393039435840247 (8.23157e-10% change) iteration 2073: trace = 2.393039435798615 (1.73971e-09% change) iteration 2074: trace = 2.393039435784316 (5.97516e-10% change) iteration 2075: trace = 2.393039435756041 (1.18156e-09% change) iteration 2076: trace = 2.393039435736609 (8.12022e-10% change) iteration 2077: trace = 2.393039435706607 (1.25373e-09% change) iteration 2078: trace = 2.393039435652097 (2.27785e-09% change) iteration 2079: trace = 2.393039435619895 (1.34566e-09% change) iteration 2080: trace = 2.393039435526861 (3.88769e-09% change) iteration 2081: trace = 2.393039435483673 (1.80474e-09% change) iteration 2082: trace = 2.393039435406879 (3.20903e-09% change) iteration 2083: trace = 2.393039435347893 (2.46492e-09% change) iteration 2084: trace = 2.39303943527605 (3.00216e-09% change) iteration 2085: trace = 2.393039435240937 (1.46727e-09% change) iteration 2086: trace = 2.393039435197417 (1.81862e-09% change) iteration 2087: trace = 2.393039435179749 (7.38312e-10% change) iteration 2088: trace = 2.393039435162206 (7.33078e-10% change) iteration 2089: trace = 2.393039435144014 (7.60228e-10% change) iteration 2090: trace = 2.393039435136933 (2.959e-10% change) iteration 2091: trace = 2.39303943512327 (5.70941e-10% change) iteration 2092: trace = 2.393039435116099 (2.99667e-10% change) iteration 2093: trace = 2.393039435106128 (4.16635e-10% change) iteration 2094: trace = 2.393039435097521 (3.59664e-10% change) iteration 2095: trace = 2.393039435079836 (7.39035e-10% change) iteration 2096: trace = 2.393039435065757 (5.8833e-10% change) iteration 2097: trace = 2.393039435022303 (1.81584e-09% change) iteration 2098: trace = 2.393039434992657 (1.23886e-09% change) iteration 2099: trace = 2.393039434894726 (4.09233e-09% change) resetting CG direction... iteration 2100: trace = 2.393039434860109 (1.44656e-09% change) iteration 2101: trace = 2.39303943482315 (1.54443e-09% change) iteration 2102: trace = 2.393039434791336 (1.32946e-09% change) iteration 2103: trace = 2.393039434780607 (4.4835e-10% change) iteration 2104: trace = 2.393039434745663 (1.46022e-09% change) iteration 2105: trace = 2.393039434729242 (6.86184e-10% change) iteration 2106: trace = 2.393039434699499 (1.24293e-09% change) iteration 2107: trace = 2.393039434678374 (8.82745e-10% change) iteration 2108: trace = 2.393039434671806 (2.74466e-10% change) iteration 2109: trace = 2.393039434657704 (5.89276e-10% change) iteration 2110: trace = 2.393039434651364 (2.64946e-10% change) iteration 2111: trace = 2.39303943463969 (4.87841e-10% change) iteration 2112: trace = 2.393039434635361 (1.80917e-10% change) iteration 2113: trace = 2.393039434615141 (8.44925e-10% change) iteration 2114: trace = 2.39303943460714 (3.3437e-10% change) iteration 2115: trace = 2.39303943457604 (1.2996e-09% change) iteration 2116: trace = 2.393039434561101 (6.24238e-10% change) iteration 2117: trace = 2.393039434519027 (1.7582e-09% change) iteration 2118: trace = 2.393039434500917 (7.56758e-10% change) iteration 2119: trace = 2.393039434429637 (2.97867e-09% change) iteration 2120: trace = 2.393039434399787 (1.24736e-09% change) iteration 2121: trace = 2.393039434344687 (2.30249e-09% change) iteration 2122: trace = 2.393039434299242 (1.89905e-09% change) iteration 2123: trace = 2.393039434265622 (1.4049e-09% change) iteration 2124: trace = 2.393039434233506 (1.34208e-09% change) iteration 2125: trace = 2.39303943421279 (8.65691e-10% change) iteration 2126: trace = 2.393039434187685 (1.04908e-09% change) iteration 2127: trace = 2.393039434179947 (3.23328e-10% change) iteration 2128: trace = 2.393039434164893 (6.29082e-10% change) iteration 2129: trace = 2.393039434160647 (1.77447e-10% change) iteration 2130: trace = 2.393039434145556 (6.30622e-10% change) iteration 2131: trace = 2.393039434137983 (3.16443e-10% change) iteration 2132: trace = 2.393039434118384 (8.19018e-10% change) iteration 2133: trace = 2.393039434109068 (3.89281e-10% change) iteration 2134: trace = 2.393039434064574 (1.85932e-09% change) iteration 2135: trace = 2.393039434045906 (7.80103e-10% change) iteration 2136: trace = 2.393039434001834 (1.84165e-09% change) iteration 2137: trace = 2.393039433985778 (6.70966e-10% change) iteration 2138: trace = 2.393039433945519 (1.68233e-09% change) iteration 2139: trace = 2.393039433928005 (7.31872e-10% change) iteration 2140: trace = 2.393039433874881 (2.21995e-09% change) iteration 2141: trace = 2.393039433855985 (7.89623e-10% change) iteration 2142: trace = 2.393039433807975 (2.00624e-09% change) iteration 2143: trace = 2.393039433765202 (1.78737e-09% change) iteration 2144: trace = 2.393039433727516 (1.57481e-09% change) iteration 2145: trace = 2.393039433700037 (1.1483e-09% change) iteration 2146: trace = 2.393039433686296 (5.74226e-10% change) iteration 2147: trace = 2.393039433663252 (9.62951e-10% change) iteration 2148: trace = 2.393039433657126 (2.55983e-10% change) iteration 2149: trace = 2.393039433645791 (4.73681e-10% change) iteration 2150: trace = 2.393039433642447 (1.3972e-10% change) iteration 2151: trace = 2.393039433635196 (3.03007e-10% change) iteration 2152: trace = 2.39303943363197 (1.34802e-10% change) iteration 2153: trace = 2.39303943362271 (3.86962e-10% change) iteration 2154: trace = 2.393039433618298 (1.84369e-10% change) iteration 2155: trace = 2.393039433598023 (8.47263e-10% change) iteration 2156: trace = 2.393039433592425 (2.33899e-10% change) iteration 2157: trace = 2.393039433566317 (1.09103e-09% change) iteration 2158: trace = 2.393039433557036 (3.87797e-10% change) iteration 2159: trace = 2.39303943353823 (7.85875e-10% change) iteration 2160: trace = 2.393039433523891 (5.99186e-10% change) iteration 2161: trace = 2.393039433502018 (9.14052e-10% change) iteration 2162: trace = 2.393039433484872 (7.16488e-10% change) iteration 2163: trace = 2.39303943346788 (7.10049e-10% change) iteration 2164: trace = 2.393039433435323 (1.36049e-09% change) iteration 2165: trace = 2.393039433427954 (3.07944e-10% change) iteration 2166: trace = 2.393039433401201 (1.11796e-09% change) iteration 2167: trace = 2.393039433388637 (5.24993e-10% change) iteration 2168: trace = 2.393039433369946 (7.81087e-10% change) iteration 2169: trace = 2.393039433352094 (7.45976e-10% change) resetting CG direction... iteration 2170: trace = 2.393039433338279 (5.77288e-10% change) iteration 2171: trace = 2.393039433331356 (2.89331e-10% change) iteration 2172: trace = 2.393039433316597 (6.16741e-10% change) iteration 2173: trace = 2.39303943331288 (1.55308e-10% change) iteration 2174: trace = 2.393039433301086 (4.92833e-10% change) iteration 2175: trace = 2.393039433296758 (1.8088e-10% change) iteration 2176: trace = 2.393039433288561 (3.42516e-10% change) iteration 2177: trace = 2.393039433279919 (3.61167e-10% change) iteration 2178: trace = 2.393039433275995 (1.63974e-10% change) iteration 2179: trace = 2.393039433265087 (4.55792e-10% change) iteration 2180: trace = 2.393039433257546 (3.15144e-10% change) iteration 2181: trace = 2.393039433246607 (4.57091e-10% change) iteration 2182: trace = 2.393039433231895 (6.14793e-10% change) iteration 2183: trace = 2.39303943322314 (3.6588e-10% change) iteration 2184: trace = 2.393039433206677 (6.87928e-10% change) iteration 2185: trace = 2.393039433199052 (3.18651e-10% change) iteration 2186: trace = 2.393039433175041 (1.00335e-09% change) iteration 2187: trace = 2.393039433148917 (1.09168e-09% change) iteration 2188: trace = 2.393039433124551 (1.01818e-09% change) iteration 2189: trace = 2.393039433078913 (1.90714e-09% change) iteration 2190: trace = 2.393039433061293 (7.36307e-10% change) iteration 2191: trace = 2.393039433021394 (1.66726e-09% change) iteration 2192: trace = 2.393039433008666 (5.31896e-10% change) iteration 2193: trace = 2.393039432994623 (5.86808e-10% change) iteration 2194: trace = 2.39303943298114 (5.63444e-10% change) iteration 2195: trace = 2.393039432975633 (2.30113e-10% change) iteration 2196: trace = 2.393039432971187 (1.8578e-10% change) iteration 2197: trace = 2.393039432967189 (1.67074e-10% change) iteration 2198: trace = 2.393039432963506 (1.53898e-10% change) iteration 2199: trace = 2.39303943295665 (2.8651e-10% change) iteration 2200: trace = 2.393039432951045 (2.34215e-10% change) iteration 2201: trace = 2.393039432944359 (2.79402e-10% change) iteration 2202: trace = 2.393039432932406 (4.99476e-10% change) iteration 2203: trace = 2.393039432925927 (2.70736e-10% change) iteration 2204: trace = 2.393039432913927 (5.01462e-10% change) iteration 2205: trace = 2.393039432906479 (3.11247e-10% change) iteration 2206: trace = 2.393039432898218 (3.45226e-10% change) iteration 2207: trace = 2.393039432883006 (6.3567e-10% change) iteration 2208: trace = 2.393039432870042 (5.41713e-10% change) iteration 2209: trace = 2.393039432848395 (9.04587e-10% change) iteration 2210: trace = 2.393039432829209 (8.01741e-10% change) iteration 2211: trace = 2.393039432783888 (1.89387e-09% change) iteration 2212: trace = 2.393039432768951 (6.24201e-10% change) iteration 2213: trace = 2.393039432727111 (1.74842e-09% change) iteration 2214: trace = 2.393039432713366 (5.74356e-10% change) iteration 2215: trace = 2.393039432685523 (1.1635e-09% change) iteration 2216: trace = 2.393039432674192 (4.73514e-10% change) iteration 2217: trace = 2.393039432653756 (8.53962e-10% change) iteration 2218: trace = 2.393039432648976 (1.99735e-10% change) iteration 2219: trace = 2.393039432639599 (3.91842e-10% change) iteration 2220: trace = 2.393039432632388 (3.01319e-10% change) iteration 2221: trace = 2.393039432629454 (1.2261e-10% change) iteration 2222: trace = 2.393039432623738 (2.38891e-10% change) iteration 2223: trace = 2.393039432621893 (7.7088e-11% change) Finished solving for bands 2 to 10 after 2223 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 72.56961989402771 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606572149986 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425817755638 (0.778751% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844484397808 (0.43222% change) linmin: converged after 5 iterations. iteration 4: trace = 2.431161869265072 (0.479384% change) linmin: converged after 10 iterations. iteration 5: trace = 2.426060285298719 (0.210062% change) linmin: converged after 5 iterations. iteration 6: trace = 2.423173490366322 (0.119062% change) linmin: converged after 5 iterations. iteration 7: trace = 2.421004961211028 (0.0895313% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230565992538 (0.0733185% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879942733867 (0.0144942% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217781388468 (0.0273785% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916583643555 (0.0124561% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553383372044 (0.0150223% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324358162781 (0.00947388% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053444209546 (0.0112078% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983304939549 (0.00290189% change) large trace change predicted (0.00610735%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834103670888 (0.00617323% change) linmin: converged after 4 iterations. iteration 17: trace = 2.41678985868919 (0.00183072% change) large trace change predicted (0.00505468%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666911131972 (0.00508736% change) linmin: converged after 4 iterations. iteration 19: trace = 2.4166166447771 (0.00208001% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550503394251 (0.00273698% change) linmin: converged after 3 iterations. iteration 21: trace = 2.416470688733484 (0.00330289% change) linmin: converged after 3 iterations. iteration 22: trace = 2.416391420950407 (0.00328037% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340797159631 (0.00209504% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269461873293 (0.00295225% change) linmin: converged after 4 iterations. iteration 25: trace = 2.416222926210562 (0.00192595% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194206827011 (0.00118861% change) large trace change predicted (0.00530487%) linmin: converged after 3 iterations. iteration 27: trace = 2.416065921394556 (0.00530954% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019721219742 (0.00191222% change) large trace change predicted (0.00450158%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911138333112 (0.00449439% change) linmin: converged after 3 iterations. iteration 30: trace = 2.41582629160505 (0.00351206% change) linmin: converged after 3 iterations. iteration 31: trace = 2.415706001302204 (0.00497939% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415627964896522 (0.00323043% change) large trace change predicted (0.0107004%) linmin: converged after 3 iterations. iteration 33: trace = 2.415370486955499 (0.0106594% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301703396906 (0.00284778% change) large trace change predicted (0.00887858%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087735457694 (0.00885924% change) linmin: converged after 4 iterations. iteration 36: trace = 2.414996261175105 (0.00378769% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847745667071 (0.00614991% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719138604278 (0.00532582% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561243495623 (0.00653907% change) linmin: converged after 4 iterations. iteration 40: trace = 2.414484076197845 (0.00319596% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383053675166 (0.00418411% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348629817614 (0.00142579% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292710880685 (0.00231614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.41426281044139 (0.00123848% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243246634743 (0.000810346% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414221940545602 (0.00088252% change) linmin: converged after 4 iterations. iteration 47: trace = 2.414189313023537 (0.00135148% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175418279198 (0.000575547% change) large trace change predicted (0.00151735%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139100347008 (0.00150437% change) linmin: converged after 3 iterations. iteration 50: trace = 2.41410858350967 (0.0012641% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084407531194 (0.00100145% change) linmin: converged after 3 iterations. iteration 52: trace = 2.41405194299888 (0.00134481% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006506569376 (0.00188218% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987519993888 (0.00078652% change) large trace change predicted (0.00171883%) linmin: converged after 4 iterations. iteration 55: trace = 2.413946313667628 (0.001707% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918580804539 (0.00114887% change) linmin: converged after 4 iterations. iteration 57: trace = 2.413893141207465 (0.00105388% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859200988206 (0.00140605% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820570923806 (0.00160036% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793675959838 (0.00111421% change) linmin: converged after 4 iterations. iteration 61: trace = 2.41374751469018 (0.00191241% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717594534564 (0.00123958% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670729599051 (0.00194163% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608430933399 (0.00258111% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550318439116 (0.00240773% change) linmin: converged after 3 iterations. iteration 66: trace = 2.41347682893992 (0.00304492% change) linmin: converged after 4 iterations. iteration 67: trace = 2.41339340540812 (0.00345663% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361522097064 (0.00132111% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309172179373 (0.00216919% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292399295394 (0.000695018% change) linmin: converged after 3 iterations. iteration 71: trace = 2.41327569127588 (0.000692335% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247253034173 (0.00117842% change) linmin: converged after 5 iterations. iteration 73: trace = 2.413240916245617 (0.000262584% change) large trace change predicted (0.000686848%) linmin: converged after 3 iterations. iteration 74: trace = 2.41322431805859 (0.000687799% change) linmin: converged after 4 iterations. iteration 75: trace = 2.413219264888939 (0.000209395% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214437745584 (0.000200029% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206787984972 (0.000316995% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202637900814 (0.000171974% change) linmin: converged after 3 iterations. iteration 79: trace = 2.413195472893919 (0.000296909% change) large trace change predicted (0.000675745%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317908763431 (0.000678988% change) linmin: converged after 4 iterations. iteration 81: trace = 2.413174450301812 (0.000192167% change) large trace change predicted (0.000670757%) linmin: converged after 4 iterations. iteration 82: trace = 2.413158250741272 (0.000671299% change) linmin: converged after 3 iterations. iteration 83: trace = 2.413137327117141 (0.000867068% change) linmin: converged after 4 iterations. iteration 84: trace = 2.413132012932992 (0.000220219% change) large trace change predicted (0.00137288%) linmin: converged after 3 iterations. iteration 85: trace = 2.413098559647973 (0.00138631% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088209220087 (0.000428928% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413069947148899 (0.000756795% change) linmin: converged after 3 iterations. iteration 88: trace = 2.413059070592073 (0.000450736% change) linmin: converged after 5 iterations. iteration 89: trace = 2.413054759886808 (0.000178641% change) large trace change predicted (0.00037844%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045616853309 (0.000378899% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029322795998 (0.000675251% change) linmin: converged after 8 iterations. iteration 92: trace = 2.413026271603121 (0.000126447% change) large trace change predicted (0.000680874%) linmin: converged after 3 iterations. iteration 93: trace = 2.413009798178263 (0.00068269% change) linmin: converged after 6 iterations. iteration 94: trace = 2.413004894504016 (0.000203218% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413000945001951 (0.000163676% change) large trace change predicted (0.000575061%) linmin: converged after 5 iterations. iteration 96: trace = 2.412987047254743 (0.000575954% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981925666143 (0.000212251% change) linmin: converged after 4 iterations. iteration 98: trace = 2.412974896949999 (0.000291288% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971596083346 (0.000136797% change) linmin: converged after 10 iterations. iteration 100: trace = 2.4129696625402 (8.01312e-05% change) large trace change predicted (0.000185929%) linmin: converged after 3 iterations. iteration 101: trace = 2.412965175837229 (0.000185941% change) linmin: converged after 5 iterations. iteration 102: trace = 2.412957791616367 (0.000306023% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955584609506 (9.14648e-05% change) large trace change predicted (0.000451421%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944741963786 (0.000449352% change) linmin: converged after 4 iterations. iteration 105: trace = 2.412939529855661 (0.000216006% change) large trace change predicted (0.000436645%) linmin: converged after 4 iterations. iteration 106: trace = 2.412929027214968 (0.000435264% change) linmin: converged after 4 iterations. iteration 107: trace = 2.412912328201572 (0.000692066% change) linmin: converged after 4 iterations. iteration 108: trace = 2.41288269120411 (0.00122827% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866221055478 (0.000682595% change) large trace change predicted (0.00140405%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832832628083 (0.00138378% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826914286274 (0.000245286% change) linmin: converged after 4 iterations. iteration 112: trace = 2.412818831736616 (0.000334983% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807701033835 (0.000461316% change) linmin: converged after 5 iterations. iteration 114: trace = 2.412803715433765 (0.000165185% change) linmin: converged after 4 iterations. iteration 115: trace = 2.412797284517408 (0.000266533% change) linmin: converged after 3 iterations. iteration 116: trace = 2.412796007156542 (5.29411e-05% change) large trace change predicted (0.000176656%) linmin: converged after 3 iterations. iteration 117: trace = 2.412791744500733 (0.000176669% change) linmin: converged after 5 iterations. iteration 118: trace = 2.412788911766202 (0.000117405% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787766702031 (4.74581e-05% change) large trace change predicted (0.000215386%) linmin: converged after 14 iterations. iteration 120: trace = 2.412782575085712 (0.000215171% change) linmin: converged after 5 iterations. iteration 121: trace = 2.412781569878351 (4.16618e-05% change) large trace change predicted (0.000159635%) linmin: converged after 6 iterations. iteration 122: trace = 2.412777722937009 (0.00015944% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776247152925 (6.11654e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.41277477702208 (6.09311e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773044903134 (7.17895e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.412771990318725 (4.37084e-05% change) large trace change predicted (0.000144173%) linmin: converged after 4 iterations. iteration 127: trace = 2.41276851183335 (0.00014417% change) linmin: converged after 4 iterations. iteration 128: trace = 2.412764296653682 (0.000174703% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762656020732 (6.79981e-05% change) large trace change predicted (0.00022703%) linmin: converged after 10 iterations. iteration 130: trace = 2.412757184451672 (0.000226776% change) linmin: converged after 3 iterations. iteration 131: trace = 2.41275029776018 (0.000285429% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744925975978 (0.000222642% change) large trace change predicted (0.000506529%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732689279281 (0.00050717% change) linmin: converged after 3 iterations. iteration 134: trace = 2.412730922319086 (7.32348e-05% change) large trace change predicted (0.000324304%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723088799774 (0.000324675% change) linmin: converged after 4 iterations. iteration 136: trace = 2.412721584804611 (6.2336e-05% change) linmin: converged after 4 iterations. iteration 137: trace = 2.412719120666497 (0.000102131% change) linmin: converged after 7 iterations. iteration 138: trace = 2.412714721567056 (0.00018233% change) linmin: converged after 3 iterations. iteration 139: trace = 2.412714204478682 (2.14318e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.412713754026475 (1.86699e-05% change) large trace change predicted (6.15933e-05%) linmin: converged after 4 iterations. iteration 141: trace = 2.412712267351988 (6.16184e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.412711710511068 (2.30795e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.412711392779833 (1.31691e-05% change) large trace change predicted (3.65162e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710511559339 (3.65241e-05% change) linmin: converged after 5 iterations. iteration 145: trace = 2.412709954008166 (2.31089e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.412709299021087 (2.71474e-05% change) large trace change predicted (5.49027e-05%) linmin: converged after 7 iterations. iteration 147: trace = 2.412707973140372 (5.4954e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.412707692886122 (1.16158e-05% change) large trace change predicted (2.45559e-05%) linmin: converged after 5 iterations. iteration 149: trace = 2.412707100304184 (2.45609e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.412706074241325 (4.25275e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.412705751568131 (1.33739e-05% change) large trace change predicted (4.35659e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.412704699425413 (4.36084e-05% change) linmin: converged after 7 iterations. iteration 153: trace = 2.412703995675228 (2.91685e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703533512238 (1.91554e-05% change) large trace change predicted (3.84179e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.412702605864909 (3.84485e-05% change) linmin: converged after 3 iterations. iteration 156: trace = 2.412701312867622 (5.35913e-05% change) linmin: converged after 4 iterations. iteration 157: trace = 2.412700830659052 (1.99863e-05% change) large trace change predicted (5.76483e-05%) linmin: converged after 3 iterations. iteration 158: trace = 2.412699437737686 (5.77329e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 2.412698181921044 (5.20503e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.412697387008903 (3.2947e-05% change) linmin: converged after 4 iterations. iteration 161: trace = 2.412696257765015 (4.68042e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.412695351163513 (3.75763e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.412694272479043 (4.47087e-05% change) linmin: converged after 5 iterations. iteration 164: trace = 2.412693035934752 (5.12516e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.412692839985733 (8.12159e-06% change) linmin: converged after 4 iterations. iteration 166: trace = 2.412692567170721 (1.13075e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692036642976 (2.1989e-05% change) linmin: converged after 4 iterations. iteration 168: trace = 2.412691939199909 (4.03877e-06% change) large trace change predicted (1.25495e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.412691636245579 (1.25567e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.412691489582481 (6.07882e-06% change) linmin: converged after 3 iterations. iteration 171: trace = 2.412691294754921 (8.07511e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691032476633 (1.08708e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.412690823412463 (8.66519e-06% change) large trace change predicted (1.90105e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.412690364680621 (1.90133e-05% change) linmin: converged after 4 iterations. iteration 175: trace = 2.412689450843369 (3.78763e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689228989079 (9.19531e-06% change) large trace change predicted (2.93464e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.41268852063783 (2.93594e-05% change) linmin: converged after 7 iterations. iteration 178: trace = 2.412688084361982 (1.80826e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.412687731266569 (1.46349e-05% change) large trace change predicted (6.13008e-05%) linmin: converged after 3 iterations. iteration 180: trace = 2.412686251198441 (6.13452e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.412685861542125 (1.61503e-05% change) large trace change predicted (4.39314e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.412684801159894 (4.39503e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.412683931839762 (3.60312e-05% change) linmin: converged after 5 iterations. iteration 184: trace = 2.412683601345483 (1.36982e-05% change) large trace change predicted (2.87148e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682907896511 (2.87418e-05% change) linmin: converged after 5 iterations. iteration 186: trace = 2.412682199030305 (2.93808e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.412681974795357 (9.29401e-06% change) large trace change predicted (2.73398e-05%) linmin: converged after 3 iterations. iteration 188: trace = 2.412681315151106 (2.73407e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.412681223289851 (3.80743e-06% change) linmin: converged after 4 iterations. iteration 190: trace = 2.412681100020511 (5.10923e-06% change) large trace change predicted (1.1128e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680831506822 (1.11293e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.412680791855518 (1.64345e-06% change) large trace change predicted (1.20291e-05%) linmin: converged after 4 iterations. iteration 193: trace = 2.412680501648386 (1.20284e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680368309465 (5.52659e-06% change) linmin: converged after 4 iterations. iteration 195: trace = 2.412680254117346 (4.733e-06% change) large trace change predicted (1.80175e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.412679819514172 (1.80133e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.412679471939027 (1.44062e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.41267912433895 (1.44072e-05% change) large trace change predicted (6.21688e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.412677623919487 (6.2189e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.412677344744617 (1.15712e-05% change) large trace change predicted (5.1269e-05%) linmin: converged after 3 iterations. iteration 201: trace = 2.412676107379597 (5.1286e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675234607234 (3.61745e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674835573206 (1.65391e-05% change) large trace change predicted (5.07202e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.412673611735913 (5.07253e-05% change) linmin: converged after 5 iterations. iteration 205: trace = 2.412673211190752 (1.66017e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.412672599553138 (2.5351e-05% change) linmin: converged after 5 iterations. iteration 207: trace = 2.41267210381192 (2.05474e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671798558492 (1.26521e-05% change) large trace change predicted (3.39183e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.412670980262336 (3.39166e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670615155774 (1.51329e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670503383675 (4.63271e-06% change) large trace change predicted (1.04444e-05%) linmin: converged after 5 iterations. iteration 212: trace = 2.412670251518683 (1.04393e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.412670034399873 (8.99911e-06% change) linmin: converged after 6 iterations. iteration 214: trace = 2.412669917271255 (4.85473e-06% change) large trace change predicted (1.68326e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669511225699 (1.68297e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.41266941794724 (3.86619e-06% change) large trace change predicted (9.43303e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669190332105 (9.43416e-06% change) linmin: converged after 15 iterations. iteration 218: trace = 2.412668895873788 (1.22047e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.412668799790946 (3.98243e-06% change) large trace change predicted (1.2458e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.412668499226344 (1.24578e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.41266819255641 (1.27108e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.41266808635526 (4.40181e-06% change) large trace change predicted (9.04524e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667868061396 (9.04782e-06% change) linmin: converged after 4 iterations. iteration 224: trace = 2.412667528882686 (1.40582e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.412667399452179 (5.36462e-06% change) large trace change predicted (1.76691e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666973151794 (1.76693e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.41266675505597 (9.03962e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666413950276 (1.41381e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.412666108449081 (1.26624e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.412665826372142 (1.16915e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665360919731 (1.9292e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664763256467 (2.47719e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.412664664286676 (4.10209e-06% change) large trace change predicted (8.40745e-06%) linmin: converged after 3 iterations. iteration 234: trace = 2.412664461435799 (8.40775e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.412664294826411 (6.90562e-06% change) linmin: converged after 6 iterations. iteration 236: trace = 2.412664233135497 (2.55696e-06% change) linmin: converged after 4 iterations. iteration 237: trace = 2.412664149082983 (3.4838e-06% change) linmin: converged after 3 iterations. iteration 238: trace = 2.412664000374282 (6.16367e-06% change) linmin: converged after 5 iterations. iteration 239: trace = 2.412663980572471 (8.20745e-07% change) large trace change predicted (4.2616e-06%) linmin: converged after 5 iterations. iteration 240: trace = 2.412663877759814 (4.26137e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 2.41266376307397 (4.75349e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663712784041 (2.08442e-06% change) large trace change predicted (1.03418e-05%) linmin: converged after 19 iterations. iteration 243: trace = 2.412663463413703 (1.03359e-05% change) linmin: converged after 6 iterations. iteration 244: trace = 2.412663150787107 (1.29577e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.412662959752136 (7.91801e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.412662703224107 (1.06326e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.412662466307567 (9.81971e-06% change) linmin: converged after 11 iterations. iteration 248: trace = 2.412662213877487 (1.04627e-05% change) linmin: converged after 6 iterations. iteration 249: trace = 2.412661757987252 (1.88957e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.412661621327437 (5.66428e-06% change) large trace change predicted (2.25934e-05%) linmin: converged after 20 iterations. iteration 251: trace = 2.412661076856442 (2.25672e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.412660418478132 (2.72885e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.412660287648347 (5.42264e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660067999547 (9.10401e-06% change) linmin: converged after 7 iterations. iteration 255: trace = 2.412659711741308 (1.47662e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659668085933 (1.80943e-06% change) large trace change predicted (1.05949e-05%) linmin: converged after 3 iterations. iteration 257: trace = 2.412659412545114 (1.05917e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.41265936076802 (2.14606e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.412659295426003 (2.7083e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.41265917225542 (5.10518e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659110103251 (2.57609e-06% change) linmin: converged after 2 iterations. iteration 262: trace = 2.412659019206827 (3.76748e-06% change) large trace change predicted (9.92737e-06%) linmin: converged after 4 iterations. iteration 263: trace = 2.412658779743009 (9.92531e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.412658723871621 (2.31576e-06% change) large trace change predicted (8.9933e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658506889322 (8.99349e-06% change) linmin: converged after 5 iterations. iteration 266: trace = 2.412658117091178 (1.61564e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.412658002764548 (4.73862e-06% change) large trace change predicted (3.83954e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657076319028 (3.83994e-05% change) linmin: converged after 3 iterations. iteration 269: trace = 2.412656272663324 (3.331e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.412655878905202 (1.63205e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655324138703 (2.2994e-05% change) linmin: converged after 4 iterations. iteration 272: trace = 2.412654772731782 (2.28548e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654497180745 (1.14211e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.412654082373989 (1.7193e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.412653980448154 (4.22464e-06% change) large trace change predicted (1.37685e-05%) linmin: converged after 2 iterations. iteration 276: trace = 2.412653648262074 (1.37685e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.4126533481554 (1.24389e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.412653136058284 (8.79103e-06% change) linmin: converged after 3 iterations. iteration 279: trace = 2.41265271756774 (1.73457e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.412652459772815 (1.06851e-05% change) linmin: converged after 5 iterations. iteration 281: trace = 2.412652371128533 (3.67414e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.412652257512887 (4.70916e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.412652145452068 (4.64472e-06% change) linmin: converged after 4 iterations. iteration 284: trace = 2.412652053768738 (3.80011e-06% change) linmin: converged after 7 iterations. iteration 285: trace = 2.412651878623261 (7.25946e-06% change) linmin: converged after 14 iterations. iteration 286: trace = 2.41265178107369 (4.04325e-06% change) linmin: converged after 4 iterations. iteration 287: trace = 2.412651603436741 (7.36273e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.412651332787845 (1.12179e-05% change) linmin: converged after 2 iterations. iteration 289: trace = 2.412651162410853 (7.06182e-06% change) large trace change predicted (1.99171e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.412650681866987 (1.99177e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650091224908 (2.4481e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.412649962939186 (5.31721e-06% change) large trace change predicted (1.39807e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.412649625567215 (1.39835e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.41264914334822 (1.99871e-05% change) linmin: converged after 2 iterations. iteration 295: trace = 2.412649074669833 (2.8466e-06% change) large trace change predicted (1.44464e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648726076218 (1.44486e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.412648590050584 (5.63802e-06% change) linmin: converged after 3 iterations. iteration 298: trace = 2.412648479516788 (4.58143e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.412648313334744 (6.88795e-06% change) linmin: converged after 4 iterations. iteration 300: trace = 2.412648211579137 (4.21759e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.412648130279446 (3.36973e-06% change) large trace change predicted (7.96012e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.412647938207894 (7.96103e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.412647906434698 (1.31694e-06% change) large trace change predicted (5.22479e-06%) linmin: converged after 4 iterations. iteration 304: trace = 2.412647780363012 (5.22545e-06% change) linmin: converged after 3 iterations. iteration 305: trace = 2.412647709740015 (2.9272e-06% change) linmin: converged after 27 iterations. iteration 306: trace = 2.412647687909497 (9.04837e-07% change) large trace change predicted (5.83366e-06%) linmin: converged after 4 iterations. iteration 307: trace = 2.412647547118509 (5.83554e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647463232272 (3.47694e-06% change) linmin: converged after 4 iterations. iteration 309: trace = 2.41264742742373 (1.4842e-06% change) linmin: converged after 6 iterations. iteration 310: trace = 2.41264737175331 (2.30744e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.412647272747539 (4.10362e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647236027295 (1.52199e-06% change) large trace change predicted (7.4494e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.412647056210699 (7.45308e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646900691113 (6.44601e-06% change) linmin: converged after 5 iterations. iteration 315: trace = 2.412646649231205 (1.04226e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.412646364724972 (1.17923e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.412646219994774 (5.99882e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646073016053 (6.09201e-06% change) linmin: converged after 3 iterations. iteration 319: trace = 2.412645812601463 (1.07937e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645747938623 (2.68016e-06% change) large trace change predicted (5.86735e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.412645606346077 (5.86877e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.412645514511841 (3.80637e-06% change) linmin: converged after 3 iterations. iteration 323: trace = 2.412645455378502 (2.45098e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.412645409036573 (1.92079e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.412645324078897 (3.52135e-06% change) linmin: converged after 7 iterations. iteration 326: trace = 2.412645305090525 (7.87035e-07% change) large trace change predicted (3.93533e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.4126452101244 (3.93618e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.412645177858778 (1.33735e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645157370978 (8.49184e-07% change) large trace change predicted (2.89644e-06%) linmin: converged after 2 iterations. iteration 330: trace = 2.412645087489282 (2.89648e-06% change) linmin: converged after 3 iterations. iteration 331: trace = 2.412645040348675 (1.9539e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.412644992771804 (1.97198e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.412644910348012 (3.41632e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.412644829425153 (3.35411e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644711183527 (4.90091e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.412644519971778 (7.9254e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644453910043 (2.73815e-06% change) large trace change predicted (1.4365e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.412644107305262 (1.43662e-05% change) linmin: converged after 3 iterations. iteration 339: trace = 2.412643769390661 (1.4006e-05% change) linmin: converged after 5 iterations. iteration 340: trace = 2.412643693637034 (3.13986e-06% change) large trace change predicted (7.77251e-06%) linmin: converged after 4 iterations. iteration 341: trace = 2.412643506105446 (7.77287e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.412643359108095 (6.09279e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.412643312020207 (1.95171e-06% change) large trace change predicted (6.53991e-06%) linmin: converged after 3 iterations. iteration 344: trace = 2.41264315424307 (6.5396e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.412643134844068 (8.04056e-07% change) large trace change predicted (2.77698e-06%) linmin: converged after 5 iterations. iteration 346: trace = 2.412643067850241 (2.77678e-06% change) linmin: converged after 2 iterations. iteration 347: trace = 2.412643008646724 (2.45389e-06% change) linmin: converged after 23 iterations. iteration 348: trace = 2.412642990930321 (7.34315e-07% change) large trace change predicted (3.49838e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.412642906535005 (3.49804e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.412642847210841 (2.45889e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.412642835207362 (4.97524e-07% change) large trace change predicted (1.79282e-06%) linmin: converged after 4 iterations. iteration 352: trace = 2.412642791954991 (1.79274e-06% change) linmin: converged after 2 iterations. iteration 353: trace = 2.412642748655494 (1.79469e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.412642734440246 (5.89198e-07% change) large trace change predicted (4.80739e-06%) linmin: converged after 4 iterations. iteration 355: trace = 2.412642618449136 (4.80764e-06% change) linmin: converged after 4 iterations. iteration 356: trace = 2.412642587266944 (1.29245e-06% change) large trace change predicted (4.91513e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.412642468669764 (4.91565e-06% change) linmin: converged after 6 iterations. iteration 358: trace = 2.41264236353669 (4.35759e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642320704749 (1.77531e-06% change) large trace change predicted (9.19023e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.412642098980574 (9.1901e-06% change) linmin: converged after 4 iterations. iteration 361: trace = 2.412641902799512 (8.13138e-06% change) linmin: converged after 4 iterations. iteration 362: trace = 2.412641810769168 (3.81451e-06% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412641629326296 (7.52051e-06% change) linmin: converged after 3 iterations. iteration 364: trace = 2.412641533945056 (3.95339e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.412641474954793 (2.44505e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.412641366978002 (4.47546e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.412641325832062 (1.70543e-06% change) linmin: converged after 4 iterations. iteration 368: trace = 2.412641289031816 (1.52531e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641239735196 (2.04326e-06% change) linmin: converged after 6 iterations. iteration 370: trace = 2.412641204870872 (1.44507e-06% change) linmin: converged after 3 iterations. iteration 371: trace = 2.412641188624218 (6.73397e-07% change) large trace change predicted (2.96239e-06%) linmin: converged after 3 iterations. iteration 372: trace = 2.412641117159764 (2.96208e-06% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412641101880692 (6.33292e-07% change) large trace change predicted (2.10401e-06%) linmin: converged after 7 iterations. iteration 374: trace = 2.412641051127379 (2.10364e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.412641015339509 (1.48335e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.412641000597188 (6.11045e-07% change) large trace change predicted (2.25123e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640946287963 (2.25103e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640867402002 (3.26969e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.41264085379331 (5.64058e-07% change) large trace change predicted (4.52929e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640744551719 (4.52788e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.412640662628598 (3.39558e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.412640618391657 (1.83355e-06% change) large trace change predicted (9.54633e-06%) linmin: converged after 8 iterations. iteration 383: trace = 2.412640388299185 (9.53696e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.412640158727684 (9.51536e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640114430435 (1.83605e-06% change) large trace change predicted (4.88085e-06%) linmin: converged after 11 iterations. iteration 386: trace = 2.412639996700177 (4.87973e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639901424178 (3.94904e-06% change) linmin: converged after 21 iterations. iteration 388: trace = 2.412639874780454 (1.10434e-06% change) large trace change predicted (3.74666e-06%) linmin: converged after 3 iterations. iteration 389: trace = 2.412639784403876 (3.74596e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.412639729791505 (2.26359e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.412639699180108 (1.26879e-06% change) large trace change predicted (3.12378e-06%) linmin: converged after 3 iterations. iteration 392: trace = 2.412639623842572 (3.12262e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.412639610408722 (5.56811e-07% change) large trace change predicted (1.96905e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639562905581 (1.96893e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639512208326 (2.10132e-06% change) linmin: converged after 8 iterations. iteration 396: trace = 2.412639502505828 (4.02153e-07% change) large trace change predicted (3.24437e-06%) linmin: converged after 4 iterations. iteration 397: trace = 2.412639424236443 (3.24414e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639399730832 (1.01572e-06% change) linmin: converged after 4 iterations. iteration 399: trace = 2.412639368699703 (1.28619e-06% change) large trace change predicted (2.93275e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.412639297938077 (2.93295e-06% change) linmin: converged after 8 iterations. iteration 401: trace = 2.412639250337466 (1.97297e-06% change) linmin: converged after 19 iterations. iteration 402: trace = 2.412639197986783 (2.16985e-06% change) large trace change predicted (5.87787e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.412639056166541 (5.87822e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.412639023986922 (1.33379e-06% change) large trace change predicted (9.3562e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638798277883 (9.35528e-06% change) linmin: converged after 3 iterations. iteration 406: trace = 2.412638634984774 (6.76824e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.412638564268046 (2.93109e-06% change) large trace change predicted (1.32214e-05%) linmin: converged after 3 iterations. iteration 408: trace = 2.412638245257388 (1.32225e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.412638008399786 (9.81737e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.412637940560561 (2.81183e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.412637830053793 (4.58033e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.4126377518365 (3.24198e-06% change) linmin: converged after 5 iterations. iteration 413: trace = 2.412637725662971 (1.08485e-06% change) large trace change predicted (2.53721e-06%) linmin: converged after 2 iterations. iteration 414: trace = 2.41263766444902 (2.53722e-06% change) linmin: converged after 2 iterations. iteration 415: trace = 2.41263762369719 (1.6891e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.412637605541611 (7.5252e-07% change) large trace change predicted (2.10883e-06%) linmin: converged after 2 iterations. iteration 417: trace = 2.412637554661186 (2.10891e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.412637507947609 (1.9362e-06% change) linmin: converged after 8 iterations. iteration 419: trace = 2.4126374810717 (1.11396e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 420: trace = 2.412637455617781 (1.05502e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.41263741614428 (1.63611e-06% change) linmin: converged after 3 iterations. iteration 422: trace = 2.412637371571531 (1.84747e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.41263735543549 (6.68813e-07% change) large trace change predicted (1.70535e-06%) linmin: converged after 24 iterations. iteration 424: trace = 2.412637314294874 (1.70521e-06% change) linmin: converged after 2 iterations. iteration 425: trace = 2.412637261682356 (2.18071e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.412637233315825 (1.17575e-06% change) large trace change predicted (2.77394e-06%) linmin: converged after 3 iterations. iteration 427: trace = 2.412637166392636 (2.77386e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.412637091006343 (3.12464e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.41263706167328 (1.21581e-06% change) large trace change predicted (8.79363e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636849516682 (8.79356e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636781916139 (2.80194e-06% change) large trace change predicted (7.98734e-06%) linmin: converged after 29 iterations. iteration 432: trace = 2.412636589214365 (7.98719e-06% change) linmin: converged after 4 iterations. iteration 433: trace = 2.412636471831561 (4.86533e-06% change) linmin: converged after 6 iterations. iteration 434: trace = 2.412636398677453 (3.03212e-06% change) linmin: converged after 6 iterations. iteration 435: trace = 2.412636261337562 (5.69252e-06% change) linmin: converged after 6 iterations. iteration 436: trace = 2.412636186669563 (3.09487e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.412636155513769 (1.29136e-06% change) linmin: converged after 4 iterations. iteration 438: trace = 2.412636110475394 (1.86677e-06% change) linmin: converged after 4 iterations. iteration 439: trace = 2.412636068959225 (1.72078e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.412636037794046 (1.29175e-06% change) linmin: converged after 5 iterations. iteration 441: trace = 2.412636021716608 (6.66385e-07% change) large trace change predicted (1.73746e-06%) linmin: converged after 2 iterations. iteration 442: trace = 2.41263597979619 (1.73754e-06% change) linmin: converged after 6 iterations. iteration 443: trace = 2.412635970231946 (3.96423e-07% change) large trace change predicted (9.56274e-07%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635947157038 (9.56419e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.412635908490043 (1.60269e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.412635901156797 (3.03952e-07% change) large trace change predicted (2.16562e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635848887898 (2.16646e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.412635827932399 (8.68573e-07% change) linmin: converged after 2 iterations. iteration 449: trace = 2.412635809210165 (7.76007e-07% change) large trace change predicted (1.76563e-06%) linmin: converged after 5 iterations. iteration 450: trace = 2.412635766605285 (1.76591e-06% change) linmin: converged after 3 iterations. iteration 451: trace = 2.412635728360875 (1.58517e-06% change) linmin: converged after 6 iterations. iteration 452: trace = 2.412635695256926 (1.37211e-06% change) large trace change predicted (3.47837e-06%) linmin: converged after 3 iterations. iteration 453: trace = 2.412635611300367 (3.47987e-06% change) linmin: converged after 3 iterations. iteration 454: trace = 2.412635591530935 (8.19412e-07% change) large trace change predicted (4.62654e-06%) linmin: converged after 4 iterations. iteration 455: trace = 2.412635479838668 (4.62947e-06% change) linmin: converged after 4 iterations. iteration 456: trace = 2.412635412050379 (2.80972e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.412635360783291 (2.12494e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635273626756 (3.6125e-06% change) linmin: converged after 3 iterations. iteration 459: trace = 2.412635216318648 (2.37533e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.412635188264901 (1.16278e-06% change) linmin: converged after 4 iterations. iteration 461: trace = 2.412635150105205 (1.58166e-06% change) linmin: converged after 8 iterations. iteration 462: trace = 2.412635139733307 (4.29899e-07% change) linmin: converged after 17 iterations. iteration 463: trace = 2.412635120388322 (8.0182e-07% change) linmin: converged after 5 iterations. iteration 464: trace = 2.412635097870907 (9.33312e-07% change) linmin: converged after 6 iterations. iteration 465: trace = 2.412635084663455 (5.47428e-07% change) linmin: converged after 22 iterations. iteration 466: trace = 2.412635065814141 (7.81275e-07% change) linmin: converged after 3 iterations. iteration 467: trace = 2.412635034166877 (1.31173e-06% change) linmin: converged after 4 iterations. iteration 468: trace = 2.412635026533767 (3.16381e-07% change) linmin: converged after 5 iterations. iteration 469: trace = 2.412635016288157 (4.24665e-07% change) large trace change predicted (1.3521e-06%) linmin: converged after 11 iterations. iteration 470: trace = 2.412634983670425 (1.35195e-06% change) linmin: converged after 21 iterations. iteration 471: trace = 2.412634976794069 (2.85014e-07% change) large trace change predicted (1.54691e-06%) linmin: converged after 3 iterations. iteration 472: trace = 2.412634939477264 (1.54672e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.412634911566645 (1.15685e-06% change) linmin: converged after 4 iterations. iteration 474: trace = 2.412634891076155 (8.49299e-07% change) large trace change predicted (2.06794e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.412634841180443 (2.0681e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.412634781447466 (2.47584e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.412634748490707 (1.36601e-06% change) large trace change predicted (4.72963e-06%) linmin: converged after 4 iterations. iteration 478: trace = 2.41263463439377 (4.72914e-06% change) linmin: converged after 15 iterations. iteration 479: trace = 2.412634614454405 (8.26456e-07% change) large trace change predicted (3.86799e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.412634521147714 (3.86742e-06% change) linmin: converged after 6 iterations. iteration 481: trace = 2.412634479976041 (1.7065e-06% change) linmin: converged after 4 iterations. iteration 482: trace = 2.412634456162701 (9.87026e-07% change) linmin: converged after 2 iterations. iteration 483: trace = 2.412634413052331 (1.78686e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.41263438165055 (1.30156e-06% change) linmin: converged after 9 iterations. iteration 485: trace = 2.412634365527056 (6.68294e-07% change) linmin: converged after 2 iterations. iteration 486: trace = 2.412634348041945 (7.24731e-07% change) linmin: converged after 2 iterations. iteration 487: trace = 2.412634335791216 (5.07774e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.412634328175905 (3.15643e-07% change) large trace change predicted (9.17481e-07%) linmin: converged after 2 iterations. iteration 489: trace = 2.412634306040388 (9.17483e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 490: trace = 2.412634294807794 (4.65574e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.412634285273226 (3.95193e-07% change) linmin: converged after 2 iterations. iteration 492: trace = 2.412634270185289 (6.25372e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.412634261917334 (3.42694e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.4126342506383 (4.67499e-07% change) large trace change predicted (1.68965e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.412634209872394 (1.68968e-06% change) linmin: converged after 18 iterations. iteration 496: trace = 2.412634203547309 (2.62165e-07% change) large trace change predicted (1.94936e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.41263415651493 (1.94942e-06% change) linmin: converged after 19 iterations. iteration 498: trace = 2.412634126164149 (1.25799e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634109083768 (7.07956e-07% change) large trace change predicted (3.11829e-06%) linmin: converged after 4 iterations. iteration 500: trace = 2.412634033848224 (3.1184e-06% change) linmin: converged after 8 iterations. iteration 501: trace = 2.412634007064451 (1.11015e-06% change) large trace change predicted (2.97917e-06%) linmin: converged after 4 iterations. iteration 502: trace = 2.412633935189493 (2.97911e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.412633877010165 (2.41144e-06% change) linmin: converged after 3 iterations. iteration 504: trace = 2.41263386011223 (7.00394e-07% change) large trace change predicted (1.51361e-06%) linmin: converged after 3 iterations. iteration 505: trace = 2.412633823591503 (1.51373e-06% change) linmin: converged after 4 iterations. iteration 506: trace = 2.412633796064021 (1.14097e-06% change) linmin: converged after 25 iterations. iteration 507: trace = 2.412633790204685 (2.42861e-07% change) large trace change predicted (1.08705e-06%) linmin: converged after 5 iterations. iteration 508: trace = 2.41263376397705 (1.0871e-06% change) linmin: converged after 3 iterations. iteration 509: trace = 2.412633748232332 (6.52595e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.41263374060533 (3.16128e-07% change) linmin: converged after 4 iterations. iteration 511: trace = 2.41263372952234 (4.59373e-07% change) linmin: converged after 3 iterations. iteration 512: trace = 2.41263370840547 (8.75262e-07% change) linmin: converged after 3 iterations. iteration 513: trace = 2.412633703831832 (1.8957e-07% change) large trace change predicted (9.63583e-07%) linmin: converged after 4 iterations. iteration 514: trace = 2.412633680585929 (9.63507e-07% change) linmin: converged after 3 iterations. iteration 515: trace = 2.41263366725748 (5.52444e-07% change) linmin: converged after 6 iterations. iteration 516: trace = 2.412633661484674 (2.39274e-07% change) large trace change predicted (7.19099e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.412633644136674 (7.19048e-07% change) linmin: converged after 12 iterations. iteration 518: trace = 2.412633618649294 (1.05641e-06% change) linmin: converged after 24 iterations. iteration 519: trace = 2.412633613208362 (2.25518e-07% change) large trace change predicted (2.02946e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633564260659 (2.02881e-06% change) linmin: converged after 10 iterations. iteration 521: trace = 2.412633544045614 (8.37883e-07% change) linmin: converged after 3 iterations. iteration 522: trace = 2.412633521764947 (9.235e-07% change) large trace change predicted (3.59207e-06%) linmin: converged after 5 iterations. iteration 523: trace = 2.41263343516367 (3.58949e-06% change) linmin: converged after 3 iterations. iteration 524: trace = 2.412633369249146 (2.73206e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.412633346056425 (9.61303e-07% change) large trace change predicted (2.22641e-06%) linmin: converged after 3 iterations. iteration 526: trace = 2.412633292359593 (2.22565e-06% change) linmin: converged after 5 iterations. iteration 527: trace = 2.412633267819949 (1.01713e-06% change) linmin: converged after 4 iterations. iteration 528: trace = 2.412633248570332 (7.97867e-07% change) linmin: converged after 4 iterations. iteration 529: trace = 2.41263322510879 (9.72445e-07% change) linmin: converged after 8 iterations. iteration 530: trace = 2.412633212449536 (5.24707e-07% change) linmin: converged after 4 iterations. iteration 531: trace = 2.412633195823139 (6.89139e-07% change) linmin: converged after 3 iterations. iteration 532: trace = 2.412633168527242 (1.13137e-06% change) linmin: converged after 7 iterations. iteration 533: trace = 2.412633163020007 (2.28267e-07% change) large trace change predicted (7.80334e-07%) linmin: converged after 21 iterations. iteration 534: trace = 2.412633144194574 (7.80286e-07% change) linmin: converged after 11 iterations. iteration 535: trace = 2.412633130824267 (5.54179e-07% change) linmin: converged after 9 iterations. iteration 536: trace = 2.41263312542474 (2.23802e-07% change) large trace change predicted (1.08899e-06%) linmin: converged after 3 iterations. iteration 537: trace = 2.412633099152063 (1.08896e-06% change) linmin: converged after 3 iterations. iteration 538: trace = 2.412633089588775 (3.96384e-07% change) linmin: converged after 2 iterations. iteration 539: trace = 2.412633078751638 (4.49183e-07% change) large trace change predicted (9.58387e-07%) linmin: converged after 4 iterations. iteration 540: trace = 2.412633055627308 (9.58469e-07% change) linmin: converged after 2 iterations. iteration 541: trace = 2.412633035956441 (8.15328e-07% change) linmin: converged after 5 iterations. iteration 542: trace = 2.412633021808457 (5.86413e-07% change) large trace change predicted (1.93599e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.41263297509769 (1.93609e-06% change) linmin: converged after 11 iterations. iteration 544: trace = 2.412632964561763 (4.36698e-07% change) large trace change predicted (3.15979e-06%) linmin: converged after 3 iterations. iteration 545: trace = 2.412632888321713 (3.16004e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632836021618 (2.16776e-06% change) linmin: converged after 5 iterations. iteration 547: trace = 2.412632790827127 (1.87324e-06% change) linmin: converged after 3 iterations. iteration 548: trace = 2.412632702437624 (3.66361e-06% change) linmin: converged after 4 iterations. iteration 549: trace = 2.41263261845685 (3.48088e-06% change) linmin: converged after 3 iterations. iteration 550: trace = 2.412632604934683 (5.60474e-07% change) large trace change predicted (1.42618e-06%) linmin: converged after 3 iterations. iteration 551: trace = 2.412632570525306 (1.42622e-06% change) linmin: converged after 10 iterations. iteration 552: trace = 2.4126325517745 (7.77193e-07% change) linmin: converged after 5 iterations. iteration 553: trace = 2.412632540355314 (4.73308e-07% change) large trace change predicted (9.74366e-07%) linmin: converged after 23 iterations. iteration 554: trace = 2.412632516847107 (9.7438e-07% change) linmin: converged after 4 iterations. iteration 555: trace = 2.412632503050128 (5.71864e-07% change) linmin: converged after 3 iterations. iteration 556: trace = 2.412632496095765 (2.88248e-07% change) large trace change predicted (8.78451e-07%) linmin: converged after 3 iterations. iteration 557: trace = 2.412632474901284 (8.78479e-07% change) linmin: converged after 20 iterations. iteration 558: trace = 2.412632466512709 (3.47694e-07% change) linmin: converged after 7 iterations. iteration 559: trace = 2.412632451280115 (6.31368e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.412632436919806 (5.95213e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.41263242929448 (3.16058e-07% change) large trace change predicted (8.09951e-07%) linmin: converged after 4 iterations. iteration 562: trace = 2.412632409753458 (8.09946e-07% change) linmin: converged after 8 iterations. iteration 563: trace = 2.412632405722814 (1.67064e-07% change) large trace change predicted (6.81232e-07%) linmin: converged after 2 iterations. iteration 564: trace = 2.412632389287196 (6.81232e-07% change) linmin: converged after 4 iterations. iteration 565: trace = 2.412632369647931 (8.14018e-07% change) linmin: converged after 2 iterations. iteration 566: trace = 2.412632362045898 (3.15093e-07% change) large trace change predicted (8.49836e-07%) linmin: converged after 2 iterations. iteration 567: trace = 2.41263234154244 (8.49838e-07% change) linmin: converged after 2 iterations. iteration 568: trace = 2.412632311829059 (1.23158e-06% change) linmin: converged after 2 iterations. iteration 569: trace = 2.412632302668741 (3.79681e-07% change) large trace change predicted (2.80582e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.412632234976855 (2.80573e-06% change) linmin: converged after 6 iterations. iteration 571: trace = 2.412632200925192 (1.41139e-06% change) linmin: converged after 3 iterations. iteration 572: trace = 2.412632146897763 (2.23936e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.41263210410752 (1.77359e-06% change) linmin: converged after 4 iterations. iteration 574: trace = 2.412632080224449 (9.89918e-07% change) linmin: converged after 3 iterations. iteration 575: trace = 2.412632032769722 (1.96693e-06% change) linmin: converged after 21 iterations. iteration 576: trace = 2.412632003124417 (1.22875e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.412631993735295 (3.89165e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.412631983119141 (4.40024e-07% change) linmin: converged after 3 iterations. iteration 579: trace = 2.412631968655456 (5.99498e-07% change) linmin: converged after 3 iterations. iteration 580: trace = 2.412631961233836 (3.07615e-07% change) linmin: converged after 5 iterations. iteration 581: trace = 2.412631951139812 (4.18382e-07% change) linmin: converged after 13 iterations. iteration 582: trace = 2.412631936633443 (6.01267e-07% change) linmin: converged after 5 iterations. iteration 583: trace = 2.412631933215954 (1.4165e-07% change) large trace change predicted (2.90307e-07%) linmin: converged after 5 iterations. iteration 584: trace = 2.412631926211197 (2.90337e-07% change) linmin: converged after 3 iterations. iteration 585: trace = 2.412631912207612 (5.80428e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.412631909312396 (1.20002e-07% change) large trace change predicted (7.78761e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631890518801 (7.78967e-07% change) linmin: converged after 5 iterations. iteration 588: trace = 2.412631878358853 (5.04012e-07% change) linmin: converged after 5 iterations. iteration 589: trace = 2.412631869898354 (3.50675e-07% change) linmin: converged after 27 iterations. iteration 590: trace = 2.41263185986936 (4.15687e-07% change) large trace change predicted (1.03871e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.412631834804708 (1.03889e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631822998687 (4.89342e-07% change) linmin: converged after 9 iterations. iteration 593: trace = 2.412631800436776 (9.35158e-07% change) linmin: converged after 4 iterations. iteration 594: trace = 2.412631761065477 (1.63188e-06% change) linmin: converged after 12 iterations. iteration 595: trace = 2.412631751517458 (3.95751e-07% change) large trace change predicted (1.11016e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631724729434 (1.11032e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631686771371 (1.57331e-06% change) linmin: converged after 6 iterations. iteration 598: trace = 2.412631681639244 (2.12719e-07% change) large trace change predicted (1.1572e-06%) linmin: converged after 3 iterations. iteration 599: trace = 2.41263165371296 (1.1575e-06% change) linmin: converged after 5 iterations. iteration 600: trace = 2.412631649896781 (1.58175e-07% change) large trace change predicted (5.08793e-07%) linmin: converged after 5 iterations. iteration 601: trace = 2.412631637620797 (5.08821e-07% change) linmin: converged after 9 iterations. iteration 602: trace = 2.412631630143496 (3.09923e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.412631626473208 (1.52128e-07% change) large trace change predicted (3.29546e-07%) linmin: converged after 12 iterations. iteration 604: trace = 2.412631618521953 (3.29568e-07% change) linmin: converged after 16 iterations. iteration 605: trace = 2.412631609172186 (3.87534e-07% change) linmin: converged after 16 iterations. iteration 606: trace = 2.41263160695191 (9.20271e-08% change) large trace change predicted (4.61252e-07%) linmin: converged after 13 iterations. iteration 607: trace = 2.412631595823381 (4.61261e-07% change) linmin: converged after 4 iterations. iteration 608: trace = 2.412631591143777 (1.93963e-07% change) linmin: converged after 4 iterations. iteration 609: trace = 2.412631586417192 (1.9591e-07% change) linmin: converged after 18 iterations. iteration 610: trace = 2.412631578222077 (3.39675e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.412631567494294 (4.44651e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.412631563114921 (1.81519e-07% change) large trace change predicted (6.39766e-07%) linmin: converged after 23 iterations. iteration 613: trace = 2.412631547679904 (6.39759e-07% change) linmin: converged after 3 iterations. iteration 614: trace = 2.412631531550748 (6.6853e-07% change) linmin: converged after 3 iterations. iteration 615: trace = 2.412631523026513 (3.53317e-07% change) large trace change predicted (8.63046e-07%) linmin: converged after 5 iterations. iteration 616: trace = 2.412631502205616 (8.62995e-07% change) linmin: converged after 4 iterations. iteration 617: trace = 2.412631476206374 (1.07763e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.412631459646525 (6.86381e-07% change) large trace change predicted (1.3906e-06%) linmin: converged after 5 iterations. iteration 619: trace = 2.412631426098889 (1.3905e-06% change) linmin: converged after 3 iterations. iteration 620: trace = 2.412631419375079 (2.78692e-07% change) large trace change predicted (5.68352e-07%) linmin: converged after 21 iterations. iteration 621: trace = 2.412631405663036 (5.68344e-07% change) linmin: converged after 22 iterations. iteration 622: trace = 2.412631389266975 (6.79592e-07% change) linmin: converged after 16 iterations. iteration 623: trace = 2.412631384125862 (2.13092e-07% change) large trace change predicted (4.99007e-07%) linmin: converged after 4 iterations. iteration 624: trace = 2.41263137208691 (4.98997e-07% change) linmin: converged after 6 iterations. iteration 625: trace = 2.412631364043902 (3.33371e-07% change) linmin: converged after 4 iterations. iteration 626: trace = 2.412631362121087 (7.96978e-08% change) large trace change predicted (1.63905e-07%) linmin: converged after 4 iterations. iteration 627: trace = 2.412631358166659 (1.63905e-07% change) linmin: converged after 4 iterations. iteration 628: trace = 2.412631351609834 (2.71771e-07% change) linmin: converged after 3 iterations. iteration 629: trace = 2.412631345208926 (2.65308e-07% change) resetting CG direction... linmin: converged after 11 iterations. iteration 630: trace = 2.412631339485002 (2.37248e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.412631333944139 (2.29661e-07% change) linmin: converged after 3 iterations. iteration 632: trace = 2.412631329917743 (1.66888e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.412631327983207 (8.01836e-08% change) large trace change predicted (2.66674e-07%) linmin: converged after 20 iterations. iteration 634: trace = 2.412631321549174 (2.66681e-07% change) linmin: converged after 21 iterations. iteration 635: trace = 2.412631315343721 (2.57207e-07% change) linmin: converged after 8 iterations. iteration 636: trace = 2.412631307948772 (3.0651e-07% change) linmin: converged after 3 iterations. iteration 637: trace = 2.412631299745011 (3.40034e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.412631292044159 (3.19189e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631280828911 (4.64855e-07% change) large trace change predicted (1.1649e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.41263125272376 (1.16492e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.412631248005994 (1.95544e-07% change) large trace change predicted (1.05228e-06%) linmin: converged after 3 iterations. iteration 642: trace = 2.41263122261909 (1.05225e-06% change) linmin: converged after 16 iterations. iteration 643: trace = 2.412631203371092 (7.97801e-07% change) linmin: converged after 2 iterations. iteration 644: trace = 2.412631197706677 (2.34782e-07% change) large trace change predicted (7.11676e-07%) linmin: converged after 27 iterations. iteration 645: trace = 2.412631180538003 (7.11616e-07% change) linmin: converged after 3 iterations. iteration 646: trace = 2.412631171176612 (3.88016e-07% change) linmin: converged after 5 iterations. iteration 647: trace = 2.412631164412619 (2.80358e-07% change) linmin: converged after 2 iterations. iteration 648: trace = 2.412631155134415 (3.84568e-07% change) linmin: converged after 13 iterations. iteration 649: trace = 2.412631152050788 (1.27812e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631149093234 (1.22586e-07% change) large trace change predicted (2.58394e-07%) linmin: converged after 17 iterations. iteration 651: trace = 2.412631142859214 (2.58391e-07% change) linmin: converged after 7 iterations. iteration 652: trace = 2.412631140963865 (7.85594e-08% change) large trace change predicted (2.77094e-07%) linmin: converged after 3 iterations. iteration 653: trace = 2.412631134278632 (2.77093e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.412631127541072 (2.79262e-07% change) linmin: converged after 16 iterations. iteration 655: trace = 2.412631123630018 (1.62107e-07% change) linmin: converged after 7 iterations. iteration 656: trace = 2.41263112062794 (1.24432e-07% change) large trace change predicted (3.52152e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.412631112132194 (3.52136e-07% change) linmin: converged after 3 iterations. iteration 658: trace = 2.412631109243808 (1.19719e-07% change) large trace change predicted (3.14523e-07%) linmin: converged after 7 iterations. iteration 659: trace = 2.412631101655737 (3.14514e-07% change) linmin: converged after 3 iterations. iteration 660: trace = 2.412631088915632 (5.28059e-07% change) linmin: converged after 3 iterations. iteration 661: trace = 2.412631082778955 (2.54356e-07% change) linmin: converged after 18 iterations. iteration 662: trace = 2.412631075975701 (2.81985e-07% change) large trace change predicted (1.3846e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631042585136 (1.38399e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.412631037516022 (2.10107e-07% change) large trace change predicted (1.29154e-06%) linmin: converged after 3 iterations. iteration 665: trace = 2.412631006365819 (1.29113e-06% change) linmin: converged after 5 iterations. iteration 666: trace = 2.412630995068939 (4.68239e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630989564691 (2.28143e-07% change) large trace change predicted (5.97273e-07%) linmin: converged after 3 iterations. iteration 668: trace = 2.412630975156747 (5.97188e-07% change) linmin: converged after 21 iterations. iteration 669: trace = 2.412630964328982 (4.48795e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.412630961346805 (1.23607e-07% change) large trace change predicted (4.81391e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630949733993 (4.81334e-07% change) linmin: converged after 3 iterations. iteration 672: trace = 2.412630948232116 (6.22506e-08% change) large trace change predicted (3.43585e-07%) linmin: converged after 3 iterations. iteration 673: trace = 2.41263093994364 (3.43545e-07% change) linmin: converged after 6 iterations. iteration 674: trace = 2.412630935078163 (2.01667e-07% change) linmin: converged after 3 iterations. iteration 675: trace = 2.412630932981415 (8.69071e-08% change) large trace change predicted (2.76459e-07%) linmin: converged after 3 iterations. iteration 676: trace = 2.412630926311784 (2.76446e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.412630918415444 (3.27292e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.412630916441026 (8.18367e-08% change) linmin: converged after 3 iterations. iteration 679: trace = 2.412630912963288 (1.44147e-07% change) large trace change predicted (3.77961e-07%) linmin: converged after 17 iterations. iteration 680: trace = 2.412630903844364 (3.77966e-07% change) linmin: converged after 8 iterations. iteration 681: trace = 2.412630900813626 (1.2562e-07% change) large trace change predicted (4.35044e-07%) linmin: converged after 3 iterations. iteration 682: trace = 2.41263089031733 (4.35056e-07% change) linmin: converged after 2 iterations. iteration 683: trace = 2.412630879104129 (4.64771e-07% change) linmin: converged after 3 iterations. iteration 684: trace = 2.412630875818197 (1.36197e-07% change) large trace change predicted (1.13949e-06%) linmin: converged after 4 iterations. iteration 685: trace = 2.412630848325395 (1.13954e-06% change) linmin: converged after 7 iterations. iteration 686: trace = 2.412630838347669 (4.13562e-07% change) linmin: converged after 21 iterations. iteration 687: trace = 2.412630820294617 (7.48272e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.412630786093133 (1.4176e-06% change) linmin: converged after 17 iterations. iteration 689: trace = 2.412630777524579 (3.55154e-07% change) large trace change predicted (1.14537e-06%) linmin: converged after 3 iterations. iteration 690: trace = 2.412630749890299 (1.1454e-06% change) linmin: converged after 8 iterations. iteration 691: trace = 2.412630740812069 (3.76279e-07% change) linmin: converged after 3 iterations. iteration 692: trace = 2.412630735953672 (2.01373e-07% change) linmin: converged after 4 iterations. iteration 693: trace = 2.412630726938458 (3.73667e-07% change) linmin: converged after 2 iterations. iteration 694: trace = 2.41263072015792 (2.81043e-07% change) linmin: converged after 4 iterations. iteration 695: trace = 2.412630717218102 (1.21851e-07% change) large trace change predicted (2.66153e-07%) linmin: converged after 7 iterations. iteration 696: trace = 2.412630710796753 (2.66155e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630705743557 (2.09448e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.41263070302266 (1.12777e-07% change) linmin: converged after 4 iterations. iteration 699: trace = 2.412630698302797 (1.95631e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 700: trace = 2.412630694104537 (1.74012e-07% change) linmin: converged after 8 iterations. iteration 701: trace = 2.412630691551694 (1.05812e-07% change) linmin: converged after 31 iterations. iteration 702: trace = 2.412630686599774 (2.0525e-07% change) linmin: converged after 3 iterations. iteration 703: trace = 2.412630683909327 (1.11515e-07% change) linmin: converged after 2 iterations. iteration 704: trace = 2.4126306796848 (1.751e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630671966119 (3.19928e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630669268442 (1.11815e-07% change) large trace change predicted (2.78032e-07%) linmin: converged after 5 iterations. iteration 707: trace = 2.412630662560239 (2.78045e-07% change) linmin: converged after 3 iterations. iteration 708: trace = 2.412630651861555 (4.43445e-07% change) linmin: converged after 3 iterations. iteration 709: trace = 2.412630646227512 (2.33523e-07% change) large trace change predicted (8.76726e-07%) linmin: converged after 17 iterations. iteration 710: trace = 2.412630625074681 (8.76754e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630599146726 (1.07468e-06% change) linmin: converged after 3 iterations. iteration 712: trace = 2.412630590854511 (3.437e-07% change) linmin: converged after 2 iterations. iteration 713: trace = 2.412630578540388 (5.10402e-07% change) linmin: converged after 3 iterations. iteration 714: trace = 2.412630557710466 (8.6337e-07% change) linmin: converged after 6 iterations. iteration 715: trace = 2.412630555274116 (1.00983e-07% change) large trace change predicted (4.24151e-07%) linmin: converged after 21 iterations. iteration 716: trace = 2.412630545040727 (4.24159e-07% change) linmin: converged after 15 iterations. iteration 717: trace = 2.412630541349482 (1.52997e-07% change) linmin: converged after 6 iterations. iteration 718: trace = 2.412630538114709 (1.34077e-07% change) linmin: converged after 16 iterations. iteration 719: trace = 2.412630533350917 (1.97452e-07% change) linmin: converged after 3 iterations. iteration 720: trace = 2.412630529176762 (1.73013e-07% change) linmin: converged after 9 iterations. iteration 721: trace = 2.412630527530259 (6.82451e-08% change) large trace change predicted (2.41696e-07%) linmin: converged after 3 iterations. iteration 722: trace = 2.41263052169875 (2.41707e-07% change) linmin: converged after 38 iterations. iteration 723: trace = 2.412630520943438 (3.13066e-08% change) large trace change predicted (1.82061e-07%) linmin: converged after 30 iterations. iteration 724: trace = 2.41263051655078 (1.82069e-07% change) linmin: converged after 3 iterations. iteration 725: trace = 2.412630513279991 (1.35569e-07% change) linmin: converged after 3 iterations. iteration 726: trace = 2.412630512257282 (4.23898e-08% change) large trace change predicted (2.61697e-07%) linmin: converged after 5 iterations. iteration 727: trace = 2.412630505942678 (2.61731e-07% change) linmin: converged after 18 iterations. iteration 728: trace = 2.412630500161171 (2.39635e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.412630497976155 (9.05657e-08% change) large trace change predicted (2.00552e-07%) linmin: converged after 18 iterations. iteration 730: trace = 2.412630493137427 (2.00558e-07% change) linmin: converged after 7 iterations. iteration 731: trace = 2.412630486469386 (2.76381e-07% change) linmin: converged after 9 iterations. iteration 732: trace = 2.412630482872868 (1.4907e-07% change) large trace change predicted (3.56308e-07%) linmin: converged after 2 iterations. iteration 733: trace = 2.412630474275808 (3.56336e-07% change) linmin: converged after 4 iterations. iteration 734: trace = 2.412630457162863 (7.09306e-07% change) linmin: converged after 8 iterations. iteration 735: trace = 2.412630454384594 (1.15155e-07% change) large trace change predicted (6.49401e-07%) linmin: converged after 3 iterations. iteration 736: trace = 2.41263043871238 (6.4959e-07% change) linmin: converged after 3 iterations. iteration 737: trace = 2.412630431300008 (3.07232e-07% change) linmin: converged after 5 iterations. iteration 738: trace = 2.412630429080818 (9.19822e-08% change) large trace change predicted (3.67989e-07%) linmin: converged after 3 iterations. iteration 739: trace = 2.412630420201562 (3.68032e-07% change) linmin: converged after 3 iterations. iteration 740: trace = 2.412630417396622 (1.16261e-07% change) linmin: converged after 3 iterations. iteration 741: trace = 2.412630414045385 (1.38904e-07% change) linmin: converged after 3 iterations. iteration 742: trace = 2.412630410289783 (1.55664e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630408971268 (5.46505e-08% change) linmin: converged after 6 iterations. iteration 744: trace = 2.412630406369719 (1.0783e-07% change) linmin: converged after 6 iterations. iteration 745: trace = 2.412630404084413 (9.47226e-08% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630403030453 (4.36851e-08% change) large trace change predicted (1.55248e-07%) linmin: converged after 3 iterations. iteration 747: trace = 2.412630399284859 (1.55249e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.412630396489464 (1.15865e-07% change) linmin: converged after 3 iterations. iteration 749: trace = 2.412630395136119 (5.60942e-08% change) linmin: converged after 3 iterations. iteration 750: trace = 2.412630393093305 (8.46716e-08% change) large trace change predicted (1.72496e-07%) linmin: converged after 3 iterations. iteration 751: trace = 2.4126303889318 (1.72488e-07% change) linmin: converged after 17 iterations. iteration 752: trace = 2.412630387939527 (4.11283e-08% change) large trace change predicted (2.05473e-07%) linmin: converged after 4 iterations. iteration 753: trace = 2.412630382982459 (2.05463e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630377709731 (2.18547e-07% change) linmin: converged after 3 iterations. iteration 755: trace = 2.412630371978515 (2.37551e-07% change) linmin: converged after 5 iterations. iteration 756: trace = 2.412630364997356 (2.89359e-07% change) linmin: converged after 17 iterations. iteration 757: trace = 2.4126303552904 (4.02339e-07% change) linmin: converged after 18 iterations. iteration 758: trace = 2.41263035088197 (1.82723e-07% change) large trace change predicted (4.52194e-07%) linmin: converged after 16 iterations. iteration 759: trace = 2.412630339972415 (4.52185e-07% change) linmin: converged after 3 iterations. iteration 760: trace = 2.412630338496646 (6.11684e-08% change) large trace change predicted (3.00711e-07%) linmin: converged after 4 iterations. iteration 761: trace = 2.412630331241726 (3.00706e-07% change) linmin: converged after 13 iterations. iteration 762: trace = 2.412630327927361 (1.37376e-07% change) linmin: converged after 4 iterations. iteration 763: trace = 2.412630323853322 (1.68863e-07% change) linmin: converged after 10 iterations. iteration 764: trace = 2.41263032238247 (6.09646e-08% change) linmin: converged after 6 iterations. iteration 765: trace = 2.412630319571758 (1.165e-07% change) linmin: converged after 7 iterations. iteration 766: trace = 2.412630318807572 (3.16744e-08% change) linmin: converged after 3 iterations. iteration 767: trace = 2.412630317516323 (5.35204e-08% change) linmin: converged after 2 iterations. iteration 768: trace = 2.412630315561193 (8.10373e-08% change) linmin: converged after 4 iterations. iteration 769: trace = 2.412630314225239 (5.53733e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.412630312963252 (5.23075e-08% change) linmin: converged after 4 iterations. iteration 771: trace = 2.412630311229752 (7.1851e-08% change) linmin: converged after 3 iterations. iteration 772: trace = 2.412630309886135 (5.56909e-08% change) linmin: converged after 13 iterations. iteration 773: trace = 2.412630309104933 (3.23797e-08% change) large trace change predicted (9.6907e-08%) linmin: converged after 3 iterations. iteration 774: trace = 2.412630306766911 (9.69076e-08% change) linmin: converged after 17 iterations. iteration 775: trace = 2.412630305161187 (6.65549e-08% change) large trace change predicted (1.35928e-07%) linmin: converged after 7 iterations. iteration 776: trace = 2.412630301881661 (1.35932e-07% change) linmin: converged after 29 iterations. iteration 777: trace = 2.412630299385484 (1.03463e-07% change) linmin: converged after 6 iterations. iteration 778: trace = 2.412630296248188 (1.30036e-07% change) linmin: converged after 2 iterations. iteration 779: trace = 2.412630291656682 (1.90311e-07% change) large trace change predicted (4.18029e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.412630281571046 (4.18035e-07% change) linmin: converged after 2 iterations. iteration 781: trace = 2.412630278960106 (1.0822e-07% change) large trace change predicted (3.49828e-07%) linmin: converged after 3 iterations. iteration 782: trace = 2.412630270520082 (3.49827e-07% change) linmin: converged after 21 iterations. iteration 783: trace = 2.412630264437842 (2.521e-07% change) linmin: converged after 3 iterations. iteration 784: trace = 2.412630262073415 (9.8002e-08% change) large trace change predicted (2.2209e-07%) linmin: converged after 7 iterations. iteration 785: trace = 2.412630256715163 (2.22092e-07% change) linmin: converged after 4 iterations. iteration 786: trace = 2.412630252287966 (1.83501e-07% change) linmin: converged after 23 iterations. iteration 787: trace = 2.412630251477637 (3.35869e-08% change) large trace change predicted (1.18953e-07%) linmin: converged after 3 iterations. iteration 788: trace = 2.412630248607751 (1.18953e-07% change) linmin: converged after 16 iterations. iteration 789: trace = 2.412630247076527 (6.3467e-08% change) linmin: converged after 4 iterations. iteration 790: trace = 2.412630246355981 (2.98656e-08% change) large trace change predicted (9.87758e-08%) linmin: converged after 2 iterations. iteration 791: trace = 2.412630243972886 (9.87758e-08% change) linmin: converged after 3 iterations. iteration 792: trace = 2.412630241773486 (9.11619e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.412630240779078 (4.12168e-08% change) linmin: converged after 13 iterations. iteration 794: trace = 2.412630238881235 (7.86628e-08% change) linmin: converged after 13 iterations. iteration 795: trace = 2.412630237519295 (5.64505e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.4126302359732 (6.40834e-08% change) linmin: converged after 4 iterations. iteration 797: trace = 2.412630233077194 (1.20035e-07% change) linmin: converged after 17 iterations. iteration 798: trace = 2.412630230408202 (1.10626e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.412630228981156 (5.9149e-08% change) large trace change predicted (1.80309e-07%) linmin: converged after 3 iterations. iteration 800: trace = 2.412630224631148 (1.80301e-07% change) linmin: converged after 11 iterations. iteration 801: trace = 2.412630221187581 (1.42731e-07% change) linmin: converged after 3 iterations. iteration 802: trace = 2.412630219425671 (7.30286e-08% change) large trace change predicted (5.35387e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630206512497 (5.35232e-07% change) linmin: converged after 3 iterations. iteration 804: trace = 2.412630200528429 (2.48031e-07% change) linmin: converged after 14 iterations. iteration 805: trace = 2.412630193410676 (2.9502e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630188739699 (1.93605e-07% change) linmin: converged after 3 iterations. iteration 807: trace = 2.412630184450137 (1.77796e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.412630182506125 (8.05765e-08% change) large trace change predicted (1.81039e-07%) linmin: converged after 3 iterations. iteration 809: trace = 2.412630178138525 (1.81031e-07% change) linmin: converged after 25 iterations. iteration 810: trace = 2.412630175737727 (9.95096e-08% change) linmin: converged after 4 iterations. iteration 811: trace = 2.412630173754387 (8.22066e-08% change) linmin: converged after 3 iterations. iteration 812: trace = 2.412630171364519 (9.90566e-08% change) linmin: converged after 3 iterations. iteration 813: trace = 2.412630170153042 (5.02139e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.412630168708331 (5.98812e-08% change) linmin: converged after 23 iterations. iteration 815: trace = 2.412630165970043 (1.13498e-07% change) linmin: converged after 7 iterations. iteration 816: trace = 2.41263016551786 (1.87423e-08% change) large trace change predicted (1.30529e-07%) linmin: converged after 3 iterations. iteration 817: trace = 2.412630162368725 (1.30527e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.412630161065023 (5.40365e-08% change) linmin: converged after 3 iterations. iteration 819: trace = 2.412630159994281 (4.43807e-08% change) large trace change predicted (1.09104e-07%) linmin: converged after 3 iterations. iteration 820: trace = 2.412630157361983 (1.09105e-07% change) linmin: converged after 6 iterations. iteration 821: trace = 2.412630154961394 (9.95009e-08% change) linmin: converged after 2 iterations. iteration 822: trace = 2.412630152916917 (8.47406e-08% change) large trace change predicted (1.91882e-07%) linmin: converged after 4 iterations. iteration 823: trace = 2.412630148287527 (1.91881e-07% change) linmin: converged after 3 iterations. iteration 824: trace = 2.41263014697605 (5.43588e-08% change) large trace change predicted (3.79353e-07%) linmin: converged after 12 iterations. iteration 825: trace = 2.412630137823453 (3.79362e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630132492341 (2.20967e-07% change) linmin: converged after 3 iterations. iteration 827: trace = 2.41263012772207 (1.97721e-07% change) large trace change predicted (4.95489e-07%) linmin: converged after 3 iterations. iteration 828: trace = 2.412630115766879 (4.95525e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.412630109736687 (2.49943e-07% change) linmin: converged after 7 iterations. iteration 830: trace = 2.412630103625597 (2.53296e-07% change) linmin: converged after 20 iterations. iteration 831: trace = 2.412630099712701 (1.62184e-07% change) linmin: converged after 4 iterations. iteration 832: trace = 2.412630096399147 (1.37342e-07% change) linmin: converged after 4 iterations. iteration 833: trace = 2.412630095552951 (3.50736e-08% change) large trace change predicted (1.16715e-07%) linmin: converged after 3 iterations. iteration 834: trace = 2.412630092737045 (1.16715e-07% change) linmin: converged after 2 iterations. iteration 835: trace = 2.412630090715236 (8.3801e-08% change) linmin: converged after 2 iterations. iteration 836: trace = 2.412630090040683 (2.79592e-08% change) large trace change predicted (8.78641e-08%) linmin: converged after 4 iterations. iteration 837: trace = 2.412630087920841 (8.78644e-08% change) linmin: converged after 7 iterations. iteration 838: trace = 2.412630086329514 (6.59582e-08% change) linmin: converged after 3 iterations. iteration 839: trace = 2.412630085260883 (4.42932e-08% change) resetting CG direction... linmin: converged after 22 iterations. iteration 840: trace = 2.412630084237794 (4.24056e-08% change) linmin: converged after 4 iterations. iteration 841: trace = 2.412630082794024 (5.98422e-08% change) linmin: converged after 3 iterations. iteration 842: trace = 2.412630081074419 (7.12751e-08% change) linmin: converged after 13 iterations. iteration 843: trace = 2.41263008034288 (3.03212e-08% change) large trace change predicted (8.93722e-08%) linmin: converged after 2 iterations. iteration 844: trace = 2.412630078186656 (8.93723e-08% change) linmin: converged after 3 iterations. iteration 845: trace = 2.412630076703578 (6.14714e-08% change) linmin: converged after 7 iterations. iteration 846: trace = 2.41263007503751 (6.90561e-08% change) linmin: converged after 3 iterations. iteration 847: trace = 2.412630072587765 (1.01538e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.412630070230647 (9.76991e-08% change) linmin: converged after 6 iterations. iteration 849: trace = 2.412630067830872 (9.94672e-08% change) large trace change predicted (3.60075e-07%) linmin: converged after 3 iterations. iteration 850: trace = 2.412630059143498 (3.60079e-07% change) linmin: converged after 3 iterations. iteration 851: trace = 2.412630057679379 (6.06856e-08% change) large trace change predicted (4.31736e-07%) linmin: converged after 4 iterations. iteration 852: trace = 2.412630047263273 (4.31732e-07% change) linmin: converged after 24 iterations. iteration 853: trace = 2.412630043534469 (1.54553e-07% change) linmin: converged after 9 iterations. iteration 854: trace = 2.412630041343939 (9.07943e-08% change) large trace change predicted (2.9239e-07%) linmin: converged after 3 iterations. iteration 855: trace = 2.412630034289649 (2.9239e-07% change) linmin: converged after 2 iterations. iteration 856: trace = 2.412630031319583 (1.23105e-07% change) linmin: converged after 2 iterations. iteration 857: trace = 2.412630030421312 (3.7232e-08% change) large trace change predicted (8.97681e-08%) linmin: converged after 5 iterations. iteration 858: trace = 2.412630028255502 (8.97697e-08% change) linmin: converged after 4 iterations. iteration 859: trace = 2.412630026890955 (5.65585e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.412630026318048 (2.37462e-08% change) large trace change predicted (7.3571e-08%) linmin: converged after 6 iterations. iteration 861: trace = 2.412630024543033 (7.35718e-08% change) linmin: converged after 7 iterations. iteration 862: trace = 2.412630023360376 (4.90194e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.412630022276247 (4.49356e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.412630021401116 (3.62729e-08% change) linmin: converged after 3 iterations. iteration 865: trace = 2.412630019888255 (6.27059e-08% change) linmin: converged after 26 iterations. iteration 866: trace = 2.412630019248806 (2.65042e-08% change) large trace change predicted (9.44935e-08%) linmin: converged after 4 iterations. iteration 867: trace = 2.412630016968875 (9.44998e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.412630015855029 (4.61673e-08% change) linmin: converged after 7 iterations. iteration 869: trace = 2.412630014567805 (5.33536e-08% change) linmin: converged after 13 iterations. iteration 870: trace = 2.412630012662523 (7.89712e-08% change) linmin: converged after 4 iterations. iteration 871: trace = 2.412630010809393 (7.68095e-08% change) linmin: converged after 3 iterations. iteration 872: trace = 2.412630009554813 (5.20005e-08% change) large trace change predicted (1.60003e-07%) linmin: converged after 11 iterations. iteration 873: trace = 2.41263000569429 (1.60013e-07% change) linmin: converged after 3 iterations. iteration 874: trace = 2.41263000422714 (6.08112e-08% change) large trace change predicted (2.45521e-07%) linmin: converged after 4 iterations. iteration 875: trace = 2.412629998302833 (2.45554e-07% change) linmin: converged after 27 iterations. iteration 876: trace = 2.412629993158651 (2.13219e-07% change) linmin: converged after 6 iterations. iteration 877: trace = 2.412629991011153 (8.90107e-08% change) linmin: converged after 4 iterations. iteration 878: trace = 2.41262998921606 (7.4404e-08% change) linmin: converged after 6 iterations. iteration 879: trace = 2.412629985991782 (1.33642e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.412629985480099 (2.12085e-08% change) large trace change predicted (8.51219e-08%) linmin: converged after 3 iterations. iteration 881: trace = 2.412629983426305 (8.51268e-08% change) linmin: converged after 3 iterations. iteration 882: trace = 2.412629982970461 (1.88941e-08% change) linmin: converged after 10 iterations. iteration 883: trace = 2.412629982174248 (3.30019e-08% change) linmin: converged after 3 iterations. iteration 884: trace = 2.412629981123664 (4.35452e-08% change) linmin: converged after 4 iterations. iteration 885: trace = 2.41262998066788 (1.88916e-08% change) linmin: converged after 3 iterations. iteration 886: trace = 2.412629979785941 (3.65551e-08% change) linmin: converged after 5 iterations. iteration 887: trace = 2.41262997827787 (6.25074e-08% change) linmin: converged after 6 iterations. iteration 888: trace = 2.412629977801736 (1.97351e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.41262997716529 (2.63798e-08% change) linmin: converged after 3 iterations. iteration 890: trace = 2.412629976153268 (4.19468e-08% change) linmin: converged after 17 iterations. iteration 891: trace = 2.412629975589091 (2.33843e-08% change) large trace change predicted (5.4013e-08%) linmin: converged after 4 iterations. iteration 892: trace = 2.412629974285966 (5.40126e-08% change) linmin: converged after 19 iterations. iteration 893: trace = 2.412629972400584 (7.81464e-08% change) linmin: converged after 18 iterations. iteration 894: trace = 2.41262997168255 (2.97614e-08% change) large trace change predicted (8.75793e-08%) linmin: converged after 19 iterations. iteration 895: trace = 2.412629969569683 (8.75753e-08% change) linmin: converged after 4 iterations. iteration 896: trace = 2.412629967031191 (1.05217e-07% change) linmin: converged after 4 iterations. iteration 897: trace = 2.412629966079408 (3.945e-08% change) large trace change predicted (1.84909e-07%) linmin: converged after 3 iterations. iteration 898: trace = 2.412629961618394 (1.84903e-07% change) linmin: converged after 6 iterations. iteration 899: trace = 2.412629958612698 (1.24582e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.412629957353238 (5.22028e-08% change) linmin: converged after 12 iterations. iteration 901: trace = 2.412629955653848 (7.04372e-08% change) linmin: converged after 4 iterations. iteration 902: trace = 2.412629954017659 (6.78177e-08% change) linmin: converged after 26 iterations. iteration 903: trace = 2.412629953219226 (3.30939e-08% change) large trace change predicted (7.55112e-08%) linmin: converged after 3 iterations. iteration 904: trace = 2.412629951397447 (7.55101e-08% change) linmin: converged after 2 iterations. iteration 905: trace = 2.412629950992803 (1.67719e-08% change) linmin: converged after 3 iterations. iteration 906: trace = 2.412629950337601 (2.71572e-08% change) linmin: converged after 11 iterations. iteration 907: trace = 2.412629949717799 (2.56899e-08% change) linmin: converged after 4 iterations. iteration 908: trace = 2.412629949253518 (1.92437e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.412629948790747 (1.91812e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 910: trace = 2.412629948343126 (1.85532e-08% change) linmin: converged after 21 iterations. iteration 911: trace = 2.412629947911868 (1.7875e-08% change) linmin: converged after 28 iterations. iteration 912: trace = 2.412629947314982 (2.474e-08% change) linmin: converged after 11 iterations. iteration 913: trace = 2.412629946961829 (1.46377e-08% change) linmin: converged after 28 iterations. iteration 914: trace = 2.412629946300243 (2.74218e-08% change) large trace change predicted (6.25139e-08%) linmin: converged after 10 iterations. iteration 915: trace = 2.412629944791989 (6.2515e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.412629944417954 (1.55032e-08% change) large trace change predicted (8.45593e-08%) linmin: converged after 3 iterations. iteration 917: trace = 2.412629942377843 (8.45596e-08% change) linmin: converged after 13 iterations. iteration 918: trace = 2.412629941102682 (5.28536e-08% change) linmin: converged after 19 iterations. iteration 919: trace = 2.41262994046269 (2.65267e-08% change) large trace change predicted (1.32556e-07%) linmin: converged after 2 iterations. iteration 920: trace = 2.412629937264604 (1.32556e-07% change) linmin: converged after 4 iterations. iteration 921: trace = 2.412629934833539 (1.00764e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.412629933140491 (7.01744e-08% change) linmin: converged after 8 iterations. iteration 923: trace = 2.412629930579348 (1.06156e-07% change) linmin: converged after 6 iterations. iteration 924: trace = 2.412629929675058 (3.74815e-08% change) linmin: converged after 3 iterations. iteration 925: trace = 2.412629928552564 (4.65257e-08% change) linmin: converged after 4 iterations. iteration 926: trace = 2.412629927042234 (6.2601e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.412629926791919 (1.03752e-08% change) large trace change predicted (5.25782e-08%) linmin: converged after 4 iterations. iteration 928: trace = 2.412629925523393 (5.25786e-08% change) linmin: converged after 4 iterations. iteration 929: trace = 2.412629924716907 (3.34276e-08% change) linmin: converged after 10 iterations. iteration 930: trace = 2.412629924353983 (1.50427e-08% change) linmin: converged after 3 iterations. iteration 931: trace = 2.412629923944752 (1.6962e-08% change) linmin: converged after 6 iterations. iteration 932: trace = 2.412629923151124 (3.28947e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.412629922755324 (1.64053e-08% change) large trace change predicted (3.34275e-08%) linmin: converged after 4 iterations. iteration 934: trace = 2.412629921948858 (3.34268e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.4126299212789 (2.77688e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.412629921007087 (1.12662e-08% change) large trace change predicted (3.19889e-08%) linmin: converged after 3 iterations. iteration 937: trace = 2.412629920235328 (3.19883e-08% change) linmin: converged after 16 iterations. iteration 938: trace = 2.41262991881614 (5.88233e-08% change) linmin: converged after 2 iterations. iteration 939: trace = 2.412629918486279 (1.36723e-08% change) large trace change predicted (7.58748e-08%) linmin: converged after 12 iterations. iteration 940: trace = 2.412629916655784 (7.58714e-08% change) linmin: converged after 16 iterations. iteration 941: trace = 2.412629915135277 (6.30228e-08% change) linmin: converged after 3 iterations. iteration 942: trace = 2.412629914401815 (3.04009e-08% change) large trace change predicted (1.74974e-07%) linmin: converged after 6 iterations. iteration 943: trace = 2.41262991018095 (1.74949e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.412629907662087 (1.04403e-07% change) linmin: converged after 21 iterations. iteration 945: trace = 2.412629906197101 (6.07215e-08% change) linmin: converged after 25 iterations. iteration 946: trace = 2.412629904091119 (8.72899e-08% change) linmin: converged after 5 iterations. iteration 947: trace = 2.412629902488048 (6.6445e-08% change) linmin: converged after 4 iterations. iteration 948: trace = 2.412629902054751 (1.79595e-08% change) large trace change predicted (7.21481e-08%) linmin: converged after 3 iterations. iteration 949: trace = 2.412629900314153 (7.21452e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629899556358 (3.14095e-08% change) linmin: converged after 6 iterations. iteration 951: trace = 2.412629898698879 (3.55412e-08% change) linmin: converged after 5 iterations. iteration 952: trace = 2.412629897860176 (3.4763e-08% change) linmin: converged after 2 iterations. iteration 953: trace = 2.412629897427251 (1.79441e-08% change) linmin: converged after 4 iterations. iteration 954: trace = 2.412629896863275 (2.3376e-08% change) linmin: converged after 3 iterations. iteration 955: trace = 2.412629895806087 (4.38189e-08% change) linmin: converged after 4 iterations. iteration 956: trace = 2.41262989562537 (7.49047e-09% change) large trace change predicted (4.84745e-08%) linmin: converged after 3 iterations. iteration 957: trace = 2.412629894455871 (4.8474e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.412629893977598 (1.98237e-08% change) linmin: converged after 6 iterations. iteration 959: trace = 2.412629893637449 (1.40987e-08% change) large trace change predicted (4.09565e-08%) linmin: converged after 4 iterations. iteration 960: trace = 2.412629892649324 (4.09563e-08% change) linmin: converged after 3 iterations. iteration 961: trace = 2.412629891799527 (3.52229e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.412629891154174 (2.67489e-08% change) large trace change predicted (7.52717e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.41262988933813 (7.52724e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.412629888917013 (1.74547e-08% change) large trace change predicted (1.48121e-07%) linmin: converged after 3 iterations. iteration 965: trace = 2.41262988534335 (1.48123e-07% change) linmin: converged after 3 iterations. iteration 966: trace = 2.412629883138498 (9.13879e-08% change) linmin: converged after 15 iterations. iteration 967: trace = 2.412629880506636 (1.09087e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.412629877948057 (1.06049e-07% change) linmin: converged after 10 iterations. iteration 969: trace = 2.412629874258886 (1.52911e-07% change) linmin: converged after 6 iterations. iteration 970: trace = 2.412629873786096 (1.95965e-08% change) large trace change predicted (7.01106e-08%) linmin: converged after 7 iterations. iteration 971: trace = 2.412629872094574 (7.01111e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.412629871246554 (3.51492e-08% change) linmin: converged after 15 iterations. iteration 973: trace = 2.412629870871922 (1.5528e-08% change) large trace change predicted (3.48898e-08%) linmin: converged after 4 iterations. iteration 974: trace = 2.412629870030162 (3.48897e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.412629869283283 (3.0957e-08% change) linmin: converged after 3 iterations. iteration 976: trace = 2.412629869093269 (7.87581e-09% change) large trace change predicted (4.1033e-08%) linmin: converged after 10 iterations. iteration 977: trace = 2.412629868103287 (4.10333e-08% change) linmin: converged after 3 iterations. iteration 978: trace = 2.412629867754894 (1.44404e-08% change) large trace change predicted (9.28383e-08%) linmin: converged after 7 iterations. iteration 979: trace = 2.412629865515041 (9.28386e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 980: trace = 2.412629863556376 (8.11838e-08% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629863224898 (1.37393e-08% change) large trace change predicted (4.07618e-08%) linmin: converged after 29 iterations. iteration 982: trace = 2.412629862241472 (4.07616e-08% change) linmin: converged after 4 iterations. iteration 983: trace = 2.412629862085139 (6.47976e-09% change) large trace change predicted (2.89464e-08%) linmin: converged after 18 iterations. iteration 984: trace = 2.412629861386774 (2.89462e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629860749219 (2.64257e-08% change) linmin: converged after 11 iterations. iteration 986: trace = 2.412629860427598 (1.33307e-08% change) large trace change predicted (2.91133e-08%) linmin: converged after 3 iterations. iteration 987: trace = 2.412629859725196 (2.91135e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.412629858550242 (4.87001e-08% change) linmin: converged after 28 iterations. iteration 989: trace = 2.412629857852391 (2.89249e-08% change) large trace change predicted (1.1502e-07%) linmin: converged after 4 iterations. iteration 990: trace = 2.412629855077395 (1.1502e-07% change) linmin: converged after 6 iterations. iteration 991: trace = 2.412629853672519 (5.82301e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.412629852198263 (6.11058e-08% change) linmin: converged after 13 iterations. iteration 993: trace = 2.412629849593705 (1.07955e-07% change) linmin: converged after 4 iterations. iteration 994: trace = 2.412629848621427 (4.02995e-08% change) linmin: converged after 6 iterations. iteration 995: trace = 2.412629846766534 (7.68826e-08% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629845476197 (5.34826e-08% change) linmin: converged after 3 iterations. iteration 997: trace = 2.412629844824159 (2.7026e-08% change) linmin: converged after 2 iterations. iteration 998: trace = 2.412629844532504 (1.20887e-08% change) large trace change predicted (3.38543e-08%) linmin: converged after 29 iterations. iteration 999: trace = 2.412629843715722 (3.38544e-08% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.412629843195641 (2.15566e-08% change) linmin: converged after 34 iterations. iteration 1001: trace = 2.412629842948857 (1.02288e-08% change) large trace change predicted (2.38554e-08%) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629842373311 (2.38555e-08% change) linmin: converged after 3 iterations. iteration 1003: trace = 2.412629842094768 (1.15452e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.412629841871016 (9.2742e-09% change) large trace change predicted (2.77531e-08%) linmin: converged after 7 iterations. iteration 1005: trace = 2.412629841201427 (2.77535e-08% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.412629841101265 (4.15157e-09% change) large trace change predicted (3.62476e-08%) linmin: converged after 10 iterations. iteration 1007: trace = 2.412629840226713 (3.62489e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.412629839981549 (1.01617e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.412629839519868 (1.9136e-08% change) linmin: converged after 3 iterations. iteration 1010: trace = 2.41262983884894 (2.7809e-08% change) linmin: converged after 5 iterations. iteration 1011: trace = 2.412629837973596 (3.62818e-08% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.412629837725241 (1.0294e-08% change) large trace change predicted (5.82988e-08%) linmin: converged after 4 iterations. iteration 1013: trace = 2.412629836318647 (5.83013e-08% change) linmin: converged after 20 iterations. iteration 1014: trace = 2.412629834864205 (6.02845e-08% change) linmin: converged after 4 iterations. iteration 1015: trace = 2.412629833786898 (4.46528e-08% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.412629832561922 (5.07735e-08% change) linmin: converged after 24 iterations. iteration 1017: trace = 2.412629830767715 (7.43672e-08% change) linmin: converged after 8 iterations. iteration 1018: trace = 2.412629830361349 (1.68433e-08% change) large trace change predicted (4.28446e-08%) linmin: converged after 4 iterations. iteration 1019: trace = 2.412629829327647 (4.28454e-08% change) linmin: converged after 5 iterations. iteration 1020: trace = 2.412629828881248 (1.85026e-08% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.412629828559689 (1.33281e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.412629828161295 (1.65129e-08% change) linmin: converged after 2 iterations. iteration 1023: trace = 2.412629827851277 (1.28498e-08% change) linmin: converged after 7 iterations. iteration 1024: trace = 2.412629827686004 (6.85031e-09% change) large trace change predicted (1.97562e-08%) linmin: converged after 6 iterations. iteration 1025: trace = 2.412629827209359 (1.97563e-08% change) linmin: converged after 8 iterations. iteration 1026: trace = 2.412629827057868 (6.27906e-09% change) large trace change predicted (1.98432e-08%) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629826579126 (1.98432e-08% change) linmin: converged after 3 iterations. iteration 1028: trace = 2.412629826329117 (1.03625e-08% change) linmin: converged after 19 iterations. iteration 1029: trace = 2.412629826102691 (9.38499e-09% change) linmin: converged after 3 iterations. iteration 1030: trace = 2.41262982588322 (9.0968e-09% change) large trace change predicted (2.01765e-08%) linmin: converged after 6 iterations. iteration 1031: trace = 2.412629825396439 (2.01763e-08% change) linmin: converged after 4 iterations. iteration 1032: trace = 2.412629825232874 (6.77956e-09% change) large trace change predicted (2.41356e-08%) linmin: converged after 5 iterations. iteration 1033: trace = 2.412629824650574 (2.41355e-08% change) linmin: converged after 34 iterations. iteration 1034: trace = 2.412629824203075 (1.85482e-08% change) linmin: converged after 3 iterations. iteration 1035: trace = 2.412629823731096 (1.95628e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629822881525 (3.52135e-08% change) linmin: converged after 14 iterations. iteration 1037: trace = 2.412629821630242 (5.18639e-08% change) linmin: converged after 7 iterations. iteration 1038: trace = 2.412629821019797 (2.5302e-08% change) large trace change predicted (5.97528e-08%) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629819578194 (5.97524e-08% change) linmin: converged after 6 iterations. iteration 1040: trace = 2.412629819312277 (1.10219e-08% change) large trace change predicted (2.28292e-08%) linmin: converged after 3 iterations. iteration 1041: trace = 2.412629818761489 (2.28294e-08% change) linmin: converged after 3 iterations. iteration 1042: trace = 2.412629818095887 (2.75882e-08% change) linmin: converged after 35 iterations. iteration 1043: trace = 2.412629817592378 (2.08697e-08% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629817394059 (8.22e-09% change) linmin: converged after 29 iterations. iteration 1045: trace = 2.412629817015594 (1.56869e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.412629816909857 (4.38262e-09% change) linmin: converged after 4 iterations. iteration 1047: trace = 2.412629816738676 (7.09523e-09% change) linmin: converged after 3 iterations. iteration 1048: trace = 2.412629816553619 (7.67032e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.412629816389073 (6.82022e-09% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1050: trace = 2.412629816238291 (6.24968e-09% change) linmin: converged after 4 iterations. iteration 1051: trace = 2.412629816070037 (6.97388e-09% change) linmin: converged after 3 iterations. iteration 1052: trace = 2.41262981593367 (5.65223e-09% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.412629815788095 (6.03388e-09% change) large trace change predicted (1.30721e-08%) linmin: converged after 4 iterations. iteration 1054: trace = 2.41262981547271 (1.30723e-08% change) linmin: converged after 8 iterations. iteration 1055: trace = 2.412629815232807 (9.9436e-09% change) linmin: converged after 6 iterations. iteration 1056: trace = 2.412629814866614 (1.51782e-08% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629814538481 (1.36006e-08% change) linmin: converged after 2 iterations. iteration 1058: trace = 2.412629814203979 (1.38646e-08% change) linmin: converged after 15 iterations. iteration 1059: trace = 2.412629813579599 (2.58796e-08% change) large trace change predicted (5.32419e-08%) linmin: converged after 4 iterations. iteration 1060: trace = 2.412629812295063 (5.32422e-08% change) linmin: converged after 2 iterations. iteration 1061: trace = 2.412629812035725 (1.07492e-08% change) large trace change predicted (5.41956e-08%) linmin: converged after 10 iterations. iteration 1062: trace = 2.412629810728186 (5.41956e-08% change) linmin: converged after 23 iterations. iteration 1063: trace = 2.412629809954657 (3.20616e-08% change) linmin: converged after 3 iterations. iteration 1064: trace = 2.41262980967421 (1.16241e-08% change) linmin: converged after 20 iterations. iteration 1065: trace = 2.412629809293346 (1.57862e-08% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629808792183 (2.07725e-08% change) linmin: converged after 16 iterations. iteration 1067: trace = 2.412629808705998 (3.57224e-09% change) large trace change predicted (1.63267e-08%) linmin: converged after 21 iterations. iteration 1068: trace = 2.412629808312097 (1.63266e-08% change) linmin: converged after 20 iterations. iteration 1069: trace = 2.412629808121221 (7.91154e-09% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.412629807997231 (5.13921e-09% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.412629807807666 (7.8572e-09% change) linmin: converged after 3 iterations. iteration 1072: trace = 2.412629807475698 (1.37596e-08% change) linmin: converged after 30 iterations. iteration 1073: trace = 2.412629807387332 (3.66265e-09% change) large trace change predicted (1.47508e-08%) linmin: converged after 9 iterations. iteration 1074: trace = 2.41262980703145 (1.47508e-08% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629806857619 (7.20503e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.412629806750841 (4.42578e-09% change) large trace change predicted (1.60661e-08%) linmin: converged after 8 iterations. iteration 1077: trace = 2.412629806363236 (1.60657e-08% change) linmin: converged after 7 iterations. iteration 1078: trace = 2.412629806105111 (1.06989e-08% change) linmin: converged after 5 iterations. iteration 1079: trace = 2.41262980585053 (1.0552e-08% change) large trace change predicted (2.51098e-08%) linmin: converged after 4 iterations. iteration 1080: trace = 2.412629805244733 (2.51094e-08% change) linmin: converged after 3 iterations. iteration 1081: trace = 2.412629804722178 (2.16591e-08% change) linmin: converged after 23 iterations. iteration 1082: trace = 2.412629804463533 (1.07204e-08% change) large trace change predicted (6.12542e-08%) linmin: converged after 42 iterations. iteration 1083: trace = 2.412629802985791 (6.12503e-08% change) linmin: converged after 3 iterations. iteration 1084: trace = 2.41262980247112 (2.13324e-08% change) large trace change predicted (5.28153e-08%) linmin: converged after 23 iterations. iteration 1085: trace = 2.412629801196939 (5.28129e-08% change) linmin: converged after 5 iterations. iteration 1086: trace = 2.412629800502156 (2.87977e-08% change) linmin: converged after 4 iterations. iteration 1087: trace = 2.412629799971902 (2.19782e-08% change) linmin: converged after 4 iterations. iteration 1088: trace = 2.412629799799375 (7.15101e-09% change) large trace change predicted (1.80215e-08%) linmin: converged after 4 iterations. iteration 1089: trace = 2.412629799364589 (1.80212e-08% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.412629798969516 (1.63752e-08% change) linmin: converged after 4 iterations. iteration 1091: trace = 2.412629798826223 (5.9393e-09% change) large trace change predicted (1.70288e-08%) linmin: converged after 8 iterations. iteration 1092: trace = 2.412629798415391 (1.70284e-08% change) linmin: converged after 3 iterations. iteration 1093: trace = 2.412629798246875 (6.98474e-09% change) linmin: converged after 20 iterations. iteration 1094: trace = 2.412629798143763 (4.27383e-09% change) large trace change predicted (1.1321e-08%) linmin: converged after 3 iterations. iteration 1095: trace = 2.412629797870632 (1.13209e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.412629797684797 (7.70261e-09% change) linmin: converged after 24 iterations. iteration 1097: trace = 2.412629797412952 (1.12676e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629797163047 (1.03582e-08% change) linmin: converged after 3 iterations. iteration 1099: trace = 2.412629797016465 (6.07559e-09% change) linmin: converged after 2 iterations. iteration 1100: trace = 2.412629796767196 (1.03319e-08% change) linmin: converged after 3 iterations. iteration 1101: trace = 2.412629796292721 (1.96663e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.412629796057744 (9.73943e-09% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.412629795600067 (1.89701e-08% change) large trace change predicted (4.82192e-08%) linmin: converged after 6 iterations. iteration 1104: trace = 2.412629794436703 (4.82197e-08% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.412629794131668 (1.26433e-08% change) large trace change predicted (4.80457e-08%) linmin: converged after 6 iterations. iteration 1106: trace = 2.412629792972492 (4.80462e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.412629791962098 (4.18793e-08% change) linmin: converged after 22 iterations. iteration 1108: trace = 2.412629791575805 (1.60113e-08% change) large trace change predicted (4.947e-08%) linmin: converged after 6 iterations. iteration 1109: trace = 2.412629790382259 (4.94707e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.412629790221015 (6.68333e-09% change) large trace change predicted (2.25035e-08%) linmin: converged after 4 iterations. iteration 1111: trace = 2.412629789678085 (2.25037e-08% change) linmin: converged after 3 iterations. iteration 1112: trace = 2.412629789389513 (1.19609e-08% change) linmin: converged after 30 iterations. iteration 1113: trace = 2.412629789264368 (5.18707e-09% change) large trace change predicted (1.12227e-08%) linmin: converged after 18 iterations. iteration 1114: trace = 2.412629788993605 (1.12228e-08% change) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629788696515 (1.23139e-08% change) linmin: converged after 12 iterations. iteration 1116: trace = 2.412629788601113 (3.95427e-09% change) large trace change predicted (1.22704e-08%) linmin: converged after 4 iterations. iteration 1117: trace = 2.412629788305071 (1.22705e-08% change) large trace change predicted (2.80383e-08%) linmin: converged after 15 iterations. iteration 1118: trace = 2.412629787628613 (2.80382e-08% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786748135 (3.64945e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629786071321 (2.8053e-08% change) linmin: converged after 7 iterations. iteration 1121: trace = 2.412629785501339 (2.36249e-08% change) linmin: converged after 5 iterations. iteration 1122: trace = 2.41262978515625 (1.43035e-08% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.412629785111021 (1.87468e-09% change) large trace change predicted (1.39945e-08%) linmin: converged after 30 iterations. iteration 1124: trace = 2.412629784773387 (1.39944e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.412629784664542 (4.51145e-09% change) linmin: converged after 29 iterations. iteration 1126: trace = 2.412629784566086 (4.08087e-09% change) large trace change predicted (1.50852e-08%) linmin: converged after 2 iterations. iteration 1127: trace = 2.412629784202139 (1.50851e-08% change) linmin: converged after 6 iterations. iteration 1128: trace = 2.41262978406677 (5.61085e-09% change) large trace change predicted (1.97875e-08%) linmin: converged after 2 iterations. iteration 1129: trace = 2.41262978358937 (1.97875e-08% change) linmin: converged after 16 iterations. iteration 1130: trace = 2.412629782953472 (2.63571e-08% change) linmin: converged after 15 iterations. iteration 1131: trace = 2.412629782725122 (9.46477e-09% change) large trace change predicted (2.89303e-08%) linmin: converged after 4 iterations. iteration 1132: trace = 2.412629782027148 (2.893e-08% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.412629781254443 (3.20275e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629780909822 (1.4284e-08% change) linmin: converged after 31 iterations. iteration 1135: trace = 2.412629780289733 (2.57018e-08% change) linmin: converged after 8 iterations. iteration 1136: trace = 2.412629779609147 (2.82093e-08% change) linmin: converged after 22 iterations. iteration 1137: trace = 2.412629779427853 (7.51438e-09% change) linmin: converged after 3 iterations. iteration 1138: trace = 2.412629779208872 (9.07646e-09% change) linmin: converged after 15 iterations. iteration 1139: trace = 2.412629778929206 (1.15917e-08% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629778815966 (4.69366e-09% change) large trace change predicted (1.24606e-08%) linmin: converged after 15 iterations. iteration 1141: trace = 2.412629778515336 (1.24607e-08% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.412629778362027 (6.35441e-09% change) linmin: converged after 3 iterations. iteration 1143: trace = 2.412629778301521 (2.5079e-09% change) large trace change predicted (6.16527e-09%) linmin: converged after 7 iterations. iteration 1144: trace = 2.412629778152776 (6.16525e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.412629778023999 (5.33764e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.412629777989935 (1.41188e-09% change) large trace change predicted (1.04561e-08%) linmin: converged after 4 iterations. iteration 1147: trace = 2.412629777737666 (1.04562e-08% change) linmin: converged after 10 iterations. iteration 1148: trace = 2.41262977756646 (7.09625e-09% change) linmin: converged after 5 iterations. iteration 1149: trace = 2.412629777466341 (4.14979e-09% change) linmin: converged after 2 iterations. iteration 1150: trace = 2.412629777310764 (6.44844e-09% change) large trace change predicted (1.33188e-08%) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629776989428 (1.33189e-08% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.41262977690998 (3.293e-09% change) large trace change predicted (2.23944e-08%) linmin: converged after 5 iterations. iteration 1153: trace = 2.412629776369673 (2.23949e-08% change) linmin: converged after 5 iterations. iteration 1154: trace = 2.412629775955889 (1.71508e-08% change) linmin: converged after 25 iterations. iteration 1155: trace = 2.412629775570756 (1.59632e-08% change) linmin: converged after 10 iterations. iteration 1156: trace = 2.412629775053357 (2.14454e-08% change) linmin: converged after 5 iterations. iteration 1157: trace = 2.41262977473925 (1.30193e-08% change) linmin: converged after 3 iterations. iteration 1158: trace = 2.412629774532151 (8.58393e-09% change) large trace change predicted (1.91552e-08%) linmin: converged after 3 iterations. iteration 1159: trace = 2.412629774070001 (1.91555e-08% change) linmin: converged after 7 iterations. iteration 1160: trace = 2.412629773809893 (1.07811e-08% change) linmin: converged after 21 iterations. iteration 1161: trace = 2.41262977370946 (4.16284e-09% change) linmin: converged after 3 iterations. iteration 1162: trace = 2.412629773593697 (4.79817e-09% change) linmin: converged after 5 iterations. iteration 1163: trace = 2.412629773445602 (6.13835e-09% change) linmin: converged after 33 iterations. iteration 1164: trace = 2.412629773363807 (3.39028e-09% change) large trace change predicted (8.37309e-09%) linmin: converged after 27 iterations. iteration 1165: trace = 2.412629773161794 (8.37313e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.41262977312455 (1.54371e-09% change) large trace change predicted (4.65498e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.412629773012247 (4.65482e-09% change) linmin: converged after 4 iterations. iteration 1168: trace = 2.412629772932707 (3.29681e-09% change) linmin: converged after 5 iterations. iteration 1169: trace = 2.412629772886902 (1.89852e-09% change) large trace change predicted (3.99811e-09%) linmin: converged after 15 iterations. iteration 1170: trace = 2.412629772790444 (3.99808e-09% change) linmin: converged after 4 iterations. iteration 1171: trace = 2.412629772630825 (6.61596e-09% change) linmin: converged after 9 iterations. iteration 1172: trace = 2.412629772603019 (1.15253e-09% change) large trace change predicted (7.1973e-09%) linmin: converged after 3 iterations. iteration 1173: trace = 2.412629772429374 (7.19734e-09% change) linmin: converged after 3 iterations. iteration 1174: trace = 2.412629772265685 (6.78467e-09% change) linmin: converged after 3 iterations. iteration 1175: trace = 2.412629772095293 (7.06249e-09% change) linmin: converged after 30 iterations. iteration 1176: trace = 2.412629771831709 (1.09252e-08% change) large trace change predicted (2.32842e-08%) linmin: converged after 5 iterations. iteration 1177: trace = 2.412629771269948 (2.32842e-08% change) linmin: converged after 3 iterations. iteration 1178: trace = 2.412629771154067 (4.8031e-09% change) large trace change predicted (1.68485e-08%) linmin: converged after 4 iterations. iteration 1179: trace = 2.412629770747575 (1.68485e-08% change) linmin: converged after 21 iterations. iteration 1180: trace = 2.412629770509739 (9.85799e-09% change) linmin: converged after 6 iterations. iteration 1181: trace = 2.412629770380116 (5.37267e-09% change) linmin: converged after 4 iterations. iteration 1182: trace = 2.412629770214877 (6.84891e-09% change) linmin: converged after 18 iterations. iteration 1183: trace = 2.412629770023579 (7.92905e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.412629769983627 (1.65594e-09% change) large trace change predicted (7.61553e-09%) linmin: converged after 3 iterations. iteration 1185: trace = 2.412629769799893 (7.6155e-09% change) linmin: converged after 5 iterations. iteration 1186: trace = 2.412629769775477 (1.01201e-09% change) large trace change predicted (2.73787e-09%) linmin: converged after 2 iterations. iteration 1187: trace = 2.412629769709425 (2.73778e-09% change) linmin: converged after 24 iterations. iteration 1188: trace = 2.412629769630545 (3.26946e-09% change) linmin: converged after 18 iterations. iteration 1189: trace = 2.412629769613379 (7.11498e-10% change) resetting CG direction... linmin: converged after 15 iterations. iteration 1190: trace = 2.41262976959639 (7.04154e-10% change) large trace change predicted (3.13204e-09%) linmin: converged after 4 iterations. iteration 1191: trace = 2.412629769520823 (3.13213e-09% change) linmin: converged after 18 iterations. iteration 1192: trace = 2.412629769456291 (2.67475e-09% change) linmin: converged after 10 iterations. iteration 1193: trace = 2.41262976943223 (9.9732e-10% change) large trace change predicted (7.00743e-09%) linmin: converged after 23 iterations. iteration 1194: trace = 2.412629769263164 (7.00754e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.41262976921944 (1.8123e-09% change) large trace change predicted (5.75369e-09%) linmin: converged after 24 iterations. iteration 1196: trace = 2.412629769080624 (5.75372e-09% change) linmin: converged after 24 iterations. iteration 1197: trace = 2.412629768902637 (7.3773e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.412629768778826 (5.13176e-09% change) linmin: converged after 3 iterations. iteration 1199: trace = 2.412629768631668 (6.09948e-09% change) large trace change predicted (1.68181e-08%) linmin: converged after 3 iterations. iteration 1200: trace = 2.412629768225907 (1.68182e-08% change) linmin: converged after 21 iterations. iteration 1201: trace = 2.412629768144289 (3.38294e-09% change) large trace change predicted (1.92351e-08%) linmin: converged after 4 iterations. iteration 1202: trace = 2.412629767680214 (1.92353e-08% change) linmin: converged after 14 iterations. iteration 1203: trace = 2.41262976750674 (7.19023e-09% change) linmin: converged after 17 iterations. iteration 1204: trace = 2.412629767422267 (3.5013e-09% change) large trace change predicted (8.59372e-09%) linmin: converged after 6 iterations. iteration 1205: trace = 2.412629767214929 (8.59383e-09% change) linmin: converged after 5 iterations. iteration 1206: trace = 2.412629767033579 (7.51671e-09% change) linmin: converged after 9 iterations. iteration 1207: trace = 2.412629767011455 (9.16993e-10% change) large trace change predicted (4.63085e-09%) linmin: converged after 3 iterations. iteration 1208: trace = 2.412629766899732 (4.63078e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.412629766838361 (2.54374e-09% change) linmin: converged after 6 iterations. iteration 1210: trace = 2.412629766811626 (1.10813e-09% change) large trace change predicted (2.62017e-09%) linmin: converged after 5 iterations. iteration 1211: trace = 2.412629766748408 (2.62029e-09% change) linmin: converged after 9 iterations. iteration 1212: trace = 2.412629766643605 (4.34391e-09% change) linmin: converged after 17 iterations. iteration 1213: trace = 2.412629766621699 (9.07992e-10% change) large trace change predicted (6.49522e-09%) linmin: converged after 20 iterations. iteration 1214: trace = 2.412629766464994 (6.49519e-09% change) linmin: converged after 16 iterations. iteration 1215: trace = 2.412629766413611 (2.12975e-09% change) linmin: converged after 10 iterations. iteration 1216: trace = 2.412629766377329 (1.50384e-09% change) large trace change predicted (7.16738e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766204408 (7.16732e-09% change) linmin: converged after 2 iterations. iteration 1218: trace = 2.412629766092525 (4.63739e-09% change) linmin: converged after 37 iterations. iteration 1219: trace = 2.412629765948341 (5.97623e-09% change) linmin: converged after 21 iterations. iteration 1220: trace = 2.412629765794661 (6.36982e-09% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.412629765488848 (1.26755e-08% change) linmin: converged after 8 iterations. iteration 1222: trace = 2.412629765391853 (4.0203e-09% change) large trace change predicted (1.46884e-08%) linmin: converged after 4 iterations. iteration 1223: trace = 2.412629765037481 (1.46882e-08% change) linmin: converged after 12 iterations. iteration 1224: trace = 2.412629764509182 (2.18972e-08% change) linmin: converged after 3 iterations. iteration 1225: trace = 2.412629764436973 (2.99297e-09% change) large trace change predicted (1.25133e-08%) linmin: converged after 4 iterations. iteration 1226: trace = 2.412629764135079 (1.25131e-08% change) linmin: converged after 6 iterations. iteration 1227: trace = 2.412629764021762 (4.69682e-09% change) linmin: converged after 22 iterations. iteration 1228: trace = 2.412629763968178 (2.22097e-09% change) large trace change predicted (7.14255e-09%) linmin: converged after 31 iterations. iteration 1229: trace = 2.412629763795855 (7.14256e-09% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.412629763727551 (2.83108e-09% change) linmin: converged after 3 iterations. iteration 1231: trace = 2.412629763634128 (3.87227e-09% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.412629763527417 (4.423e-09% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.412629763455186 (2.99387e-09% change) linmin: converged after 4 iterations. iteration 1234: trace = 2.412629763435135 (8.31106e-10% change) large trace change predicted (3.5353e-09%) linmin: converged after 3 iterations. iteration 1235: trace = 2.412629763349838 (3.53542e-09% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.412629763263659 (3.572e-09% change) linmin: converged after 5 iterations. iteration 1237: trace = 2.412629763215761 (1.98531e-09% change) large trace change predicted (6.35395e-09%) linmin: converged after 15 iterations. iteration 1238: trace = 2.412629763062466 (6.35386e-09% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.412629762988782 (3.05408e-09% change) linmin: converged after 12 iterations. iteration 1240: trace = 2.41262976294522 (1.80558e-09% change) large trace change predicted (8.6499e-09%) linmin: converged after 3 iterations. iteration 1241: trace = 2.412629762736529 (8.64991e-09% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.412629762542935 (8.02419e-09% change) linmin: converged after 21 iterations. iteration 1243: trace = 2.412629762314571 (9.46536e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.412629762057344 (1.06617e-08% change) linmin: converged after 4 iterations. iteration 1245: trace = 2.412629761863464 (8.03606e-09% change) linmin: converged after 5 iterations. iteration 1246: trace = 2.412629761597018 (1.10438e-08% change) linmin: converged after 11 iterations. iteration 1247: trace = 2.412629761219216 (1.56594e-08% change) linmin: converged after 21 iterations. iteration 1248: trace = 2.412629761085051 (5.56091e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760828974 (1.06141e-08% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.412629760639644 (7.84743e-09% change) linmin: converged after 14 iterations. iteration 1251: trace = 2.412629760581674 (2.40278e-09% change) large trace change predicted (5.16129e-09%) linmin: converged after 20 iterations. iteration 1252: trace = 2.41262976045715 (5.16136e-09% change) linmin: converged after 25 iterations. iteration 1253: trace = 2.412629760379494 (3.2187e-09% change) linmin: converged after 22 iterations. iteration 1254: trace = 2.412629760357853 (8.97021e-10% change) large trace change predicted (5.10238e-09%) linmin: converged after 11 iterations. iteration 1255: trace = 2.412629760234752 (5.10236e-09% change) linmin: converged after 27 iterations. iteration 1256: trace = 2.412629760183038 (2.14344e-09% change) linmin: converged after 22 iterations. iteration 1257: trace = 2.41262976011821 (2.68705e-09% change) large trace change predicted (1.02009e-08%) linmin: converged after 17 iterations. iteration 1258: trace = 2.412629759872101 (1.02009e-08% change) large trace change predicted (2.67226e-08%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629759227385 (2.67225e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.412629758784362 (1.83627e-08% change) linmin: converged after 16 iterations. iteration 1261: trace = 2.412629758423854 (1.49425e-08% change) linmin: converged after 19 iterations. iteration 1262: trace = 2.412629758377089 (1.93835e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629758329493 (1.97275e-09% change) linmin: converged after 2 iterations. iteration 1264: trace = 2.412629758255965 (3.04764e-09% change) linmin: converged after 21 iterations. iteration 1265: trace = 2.412629758220791 (1.45793e-09% change) linmin: converged after 18 iterations. iteration 1266: trace = 2.412629758154245 (2.75823e-09% change) linmin: converged after 28 iterations. iteration 1267: trace = 2.412629758055097 (4.10953e-09% change) linmin: converged after 24 iterations. iteration 1268: trace = 2.412629758014067 (1.70063e-09% change) linmin: converged after 7 iterations. iteration 1269: trace = 2.41262975794768 (2.75164e-09% change) large trace change predicted (8.31457e-09%) linmin: converged after 15 iterations. iteration 1270: trace = 2.412629757747085 (8.31439e-09% change) linmin: converged after 14 iterations. iteration 1271: trace = 2.412629757706469 (1.68347e-09% change) large trace change predicted (1.15884e-08%) linmin: converged after 5 iterations. iteration 1272: trace = 2.412629757426879 (1.15886e-08% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629757174864 (1.04457e-08% change) linmin: converged after 9 iterations. iteration 1274: trace = 2.412629757050574 (5.15164e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.412629756873577 (7.33629e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.412629756723467 (6.22181e-09% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.412629756664747 (2.43386e-09% change) large trace change predicted (7.48491e-09%) linmin: converged after 3 iterations. iteration 1278: trace = 2.412629756484164 (7.48493e-09% change) linmin: converged after 8 iterations. iteration 1279: trace = 2.412629756447505 (1.51943e-09% change) large trace change predicted (4.76821e-09%) linmin: converged after 21 iterations. iteration 1280: trace = 2.412629756332466 (4.7682e-09% change) linmin: converged after 13 iterations. iteration 1281: trace = 2.412629756284361 (1.9939e-09% change) linmin: converged after 3 iterations. iteration 1282: trace = 2.41262975625007 (1.42129e-09% change) large trace change predicted (3.01163e-09%) linmin: converged after 2 iterations. iteration 1283: trace = 2.412629756177412 (3.01158e-09% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.41262975609523 (3.40634e-09% change) linmin: converged after 17 iterations. iteration 1285: trace = 2.412629756084139 (4.59693e-10% change) large trace change predicted (1.71176e-09%) linmin: converged after 4 iterations. iteration 1286: trace = 2.41262975604284 (1.71178e-09% change) linmin: converged after 16 iterations. iteration 1287: trace = 2.412629755997301 (1.88753e-09% change) linmin: converged after 3 iterations. iteration 1288: trace = 2.412629755977456 (8.22547e-10% change) large trace change predicted (1.70901e-09%) linmin: converged after 4 iterations. iteration 1289: trace = 2.41262975593622 (1.70917e-09% change) linmin: converged after 9 iterations. iteration 1290: trace = 2.412629755856372 (3.30961e-09% change) linmin: converged after 6 iterations. iteration 1291: trace = 2.412629755838736 (7.30955e-10% change) large trace change predicted (4.44418e-09%) linmin: converged after 4 iterations. iteration 1292: trace = 2.412629755731513 (4.44426e-09% change) linmin: converged after 21 iterations. iteration 1293: trace = 2.412629755654188 (3.20502e-09% change) linmin: converged after 5 iterations. iteration 1294: trace = 2.412629755527417 (5.25448e-09% change) linmin: converged after 27 iterations. iteration 1295: trace = 2.41262975541239 (4.76769e-09% change) large trace change predicted (1.11249e-08%) linmin: converged after 15 iterations. iteration 1296: trace = 2.412629755143979 (1.11252e-08% change) linmin: converged after 12 iterations. iteration 1297: trace = 2.412629755099981 (1.82366e-09% change) large trace change predicted (5.6879e-09%) linmin: converged after 6 iterations. iteration 1298: trace = 2.412629754962752 (5.68792e-09% change) linmin: converged after 12 iterations. iteration 1299: trace = 2.412629754844288 (4.91018e-09% change) linmin: converged after 3 iterations. iteration 1300: trace = 2.412629754817396 (1.11461e-09% change) large trace change predicted (3.06863e-09%) linmin: converged after 7 iterations. iteration 1301: trace = 2.412629754743361 (3.06864e-09% change) linmin: converged after 5 iterations. iteration 1302: trace = 2.412629754654255 (3.69335e-09% change) linmin: converged after 3 iterations. iteration 1303: trace = 2.412629754642328 (4.94353e-10% change) large trace change predicted (3.24613e-09%) linmin: converged after 4 iterations. iteration 1304: trace = 2.412629754564009 (3.24621e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.412629754545335 (7.73971e-10% change) linmin: converged after 17 iterations. iteration 1306: trace = 2.412629754513975 (1.29984e-09% change) linmin: converged after 3 iterations. iteration 1307: trace = 2.412629754461026 (2.19469e-09% change) linmin: converged after 24 iterations. iteration 1308: trace = 2.412629754450872 (4.20836e-10% change) large trace change predicted (1.90282e-09%) linmin: converged after 5 iterations. iteration 1309: trace = 2.412629754404964 (1.90285e-09% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.412629754381292 (9.81177e-10% change) linmin: converged after 17 iterations. iteration 1311: trace = 2.412629754370519 (4.46495e-10% change) large trace change predicted (1.16897e-09%) linmin: converged after 11 iterations. iteration 1312: trace = 2.412629754342317 (1.16895e-09% change) linmin: converged after 3 iterations. iteration 1313: trace = 2.412629754298406 (1.82005e-09% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.41262975428042 (7.45478e-10% change) large trace change predicted (3.03393e-09%) linmin: converged after 3 iterations. iteration 1315: trace = 2.412629754207223 (3.03391e-09% change) linmin: converged after 21 iterations. iteration 1316: trace = 2.412629754131533 (3.13726e-09% change) linmin: converged after 17 iterations. iteration 1317: trace = 2.412629754079362 (2.16242e-09% change) linmin: converged after 22 iterations. iteration 1318: trace = 2.412629754001501 (3.22722e-09% change) large trace change predicted (8.14822e-09%) linmin: converged after 8 iterations. iteration 1319: trace = 2.412629753804917 (8.14812e-09% change) linmin: converged after 6 iterations. iteration 1320: trace = 2.412629753672679 (5.48105e-09% change) linmin: converged after 26 iterations. iteration 1321: trace = 2.412629753645079 (1.14399e-09% change) large trace change predicted (2.90212e-09%) linmin: converged after 4 iterations. iteration 1322: trace = 2.412629753575062 (2.90212e-09% change) linmin: converged after 9 iterations. iteration 1323: trace = 2.412629753526704 (2.00436e-09% change) linmin: converged after 18 iterations. iteration 1324: trace = 2.412629753507363 (8.01655e-10% change) large trace change predicted (1.80072e-09%) linmin: converged after 4 iterations. iteration 1325: trace = 2.412629753463919 (1.80069e-09% change) linmin: converged after 27 iterations. iteration 1326: trace = 2.412629753446302 (7.302e-10% change) linmin: converged after 2 iterations. iteration 1327: trace = 2.412629753411623 (1.43741e-09% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.41262975338803 (9.77882e-10% change) linmin: converged after 3 iterations. iteration 1329: trace = 2.412629753379163 (3.67548e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1330: trace = 2.412629753373133 (2.49928e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.412629753362216 (4.52477e-10% change) large trace change predicted (1.48768e-09%) linmin: converged after 3 iterations. iteration 1332: trace = 2.412629753326324 (1.48766e-09% change) linmin: converged after 21 iterations. iteration 1333: trace = 2.41262975331876 (3.13524e-10% change) large trace change predicted (2.51717e-09%) linmin: converged after 13 iterations. iteration 1334: trace = 2.412629753258029 (2.51723e-09% change) linmin: converged after 22 iterations. iteration 1335: trace = 2.412629753243284 (6.11163e-10% change) large trace change predicted (1.51776e-09%) linmin: converged after 4 iterations. iteration 1336: trace = 2.412629753206665 (1.51779e-09% change) large trace change predicted (3.11526e-09%) linmin: converged after 21 iterations. iteration 1337: trace = 2.412629753131504 (3.1153e-09% change) linmin: converged after 3 iterations. iteration 1338: trace = 2.412629753110682 (8.63042e-10% change) large trace change predicted (3.94005e-09%) linmin: converged after 17 iterations. iteration 1339: trace = 2.412629753015625 (3.93999e-09% change) linmin: converged after 4 iterations. iteration 1340: trace = 2.412629752887711 (5.30184e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.412629752856721 (1.2845e-09% change) large trace change predicted (3.91703e-09%) linmin: converged after 12 iterations. iteration 1342: trace = 2.412629752762214 (3.91716e-09% change) linmin: converged after 6 iterations. iteration 1343: trace = 2.412629752687959 (3.07777e-09% change) linmin: converged after 12 iterations. iteration 1344: trace = 2.412629752672196 (6.5337e-10% change) large trace change predicted (2.92053e-09%) linmin: converged after 6 iterations. iteration 1345: trace = 2.412629752601734 (2.92052e-09% change) linmin: converged after 4 iterations. iteration 1346: trace = 2.412629752557002 (1.8541e-09% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.412629752546933 (4.17339e-10% change) large trace change predicted (1.11843e-09%) linmin: converged after 5 iterations. iteration 1348: trace = 2.412629752519949 (1.11844e-09% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.412629752500673 (7.98949e-10% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.412629752493519 (2.96553e-10% change) large trace change predicted (1.17056e-09%) linmin: converged after 7 iterations. iteration 1351: trace = 2.412629752465278 (1.17055e-09% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.412629752433745 (1.307e-09% change) linmin: converged after 11 iterations. iteration 1353: trace = 2.412629752423406 (4.2853e-10% change) large trace change predicted (1.47567e-09%) linmin: converged after 13 iterations. iteration 1354: trace = 2.412629752387804 (1.47562e-09% change) linmin: converged after 2 iterations. iteration 1355: trace = 2.412629752354599 (1.37634e-09% change) linmin: converged after 5 iterations. iteration 1356: trace = 2.412629752346775 (3.24274e-10% change) large trace change predicted (2.82549e-09%) linmin: converged after 6 iterations. iteration 1357: trace = 2.412629752278608 (2.82543e-09% change) linmin: converged after 3 iterations. iteration 1358: trace = 2.412629752247452 (1.29137e-09% change) linmin: converged after 6 iterations. iteration 1359: trace = 2.412629752200432 (1.94892e-09% change) linmin: converged after 6 iterations. iteration 1360: trace = 2.412629752156055 (1.83936e-09% change) large trace change predicted (6.36372e-09%) linmin: converged after 4 iterations. iteration 1361: trace = 2.412629752002523 (6.36365e-09% change) linmin: converged after 4 iterations. iteration 1362: trace = 2.412629751973097 (1.21967e-09% change) large trace change predicted (4.8753e-09%) linmin: converged after 23 iterations. iteration 1363: trace = 2.412629751855475 (4.87526e-09% change) linmin: converged after 10 iterations. iteration 1364: trace = 2.412629751760794 (3.92438e-09% change) linmin: converged after 23 iterations. iteration 1365: trace = 2.412629751695875 (2.69081e-09% change) linmin: converged after 16 iterations. iteration 1366: trace = 2.412629751637866 (2.4044e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.412629751569903 (2.81697e-09% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.412629751513128 (2.35324e-09% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.412629751504459 (3.59302e-10% change) large trace change predicted (1.35823e-09%) linmin: converged after 7 iterations. iteration 1370: trace = 2.412629751471692 (1.35817e-09% change) linmin: converged after 10 iterations. iteration 1371: trace = 2.412629751451649 (8.30756e-10% change) linmin: converged after 4 iterations. iteration 1372: trace = 2.412629751442956 (3.60314e-10% change) large trace change predicted (1.47134e-09%) linmin: converged after 5 iterations. iteration 1373: trace = 2.412629751407461 (1.47119e-09% change) linmin: converged after 4 iterations. iteration 1374: trace = 2.41262975139943 (3.32888e-10% change) large trace change predicted (1.37658e-09%) linmin: converged after 5 iterations. iteration 1375: trace = 2.412629751366218 (1.37657e-09% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.412629751336776 (1.22034e-09% change) linmin: converged after 14 iterations. iteration 1377: trace = 2.412629751325573 (4.64368e-10% change) large trace change predicted (1.35389e-09%) linmin: converged after 2 iterations. iteration 1378: trace = 2.412629751292909 (1.35388e-09% change) linmin: converged after 23 iterations. iteration 1379: trace = 2.412629751244434 (2.00922e-09% change) linmin: converged after 9 iterations. iteration 1380: trace = 2.412629751229349 (6.25244e-10% change) large trace change predicted (3.11211e-09%) linmin: converged after 5 iterations. iteration 1381: trace = 2.412629751154263 (3.11221e-09% change) linmin: converged after 18 iterations. iteration 1382: trace = 2.412629751062618 (3.79853e-09% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.412629751015923 (1.93546e-09% change) linmin: converged after 2 iterations. iteration 1384: trace = 2.412629750951386 (2.67494e-09% change) linmin: converged after 7 iterations. iteration 1385: trace = 2.412629750831638 (4.96341e-09% change) linmin: converged after 16 iterations. iteration 1386: trace = 2.412629750759407 (2.99387e-09% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.412629750654473 (4.34936e-09% change) linmin: converged after 21 iterations. iteration 1388: trace = 2.4126297505933 (2.53553e-09% change) linmin: converged after 7 iterations. iteration 1389: trace = 2.412629750551632 (1.72706e-09% change) linmin: converged after 18 iterations. iteration 1390: trace = 2.412629750498109 (2.21845e-09% change) linmin: converged after 4 iterations. iteration 1391: trace = 2.41262975048712 (4.55496e-10% change) large trace change predicted (1.14132e-09%) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629750459585 (1.14126e-09% change) linmin: converged after 17 iterations. iteration 1393: trace = 2.412629750430535 (1.20408e-09% change) linmin: converged after 12 iterations. iteration 1394: trace = 2.412629750423802 (2.79085e-10% change) large trace change predicted (1.65729e-09%) linmin: converged after 4 iterations. iteration 1395: trace = 2.41262975038382 (1.65721e-09% change) linmin: converged after 16 iterations. iteration 1396: trace = 2.412629750359609 (1.0035e-09% change) linmin: converged after 14 iterations. iteration 1397: trace = 2.412629750328418 (1.29281e-09% change) large trace change predicted (7.68427e-09%) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629750143024 (7.68433e-09% change) large trace change predicted (3.44603e-08%) linmin: converged after 4 iterations. iteration 1399: trace = 2.412629749311611 (3.44608e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.412629748742168 (2.36026e-08% change) linmin: converged after 26 iterations. iteration 1401: trace = 2.412629748648407 (3.88624e-09% change) linmin: converged after 3 iterations. iteration 1402: trace = 2.412629748619136 (1.21325e-09% change) linmin: converged after 11 iterations. iteration 1403: trace = 2.412629748561553 (2.38672e-09% change) linmin: converged after 18 iterations. iteration 1404: trace = 2.412629748545823 (6.51971e-10% change) linmin: converged after 3 iterations. iteration 1405: trace = 2.412629748516935 (1.1974e-09% change) linmin: converged after 8 iterations. iteration 1406: trace = 2.412629748507309 (3.9895e-10% change) linmin: converged after 21 iterations. iteration 1407: trace = 2.412629748496474 (4.4909e-10% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.412629748479582 (7.0016e-10% change) linmin: converged after 5 iterations. iteration 1409: trace = 2.41262974845454 (1.03796e-09% change) linmin: converged after 3 iterations. iteration 1410: trace = 2.412629748445947 (3.56173e-10% change) large trace change predicted (1.38341e-09%) linmin: converged after 14 iterations. iteration 1411: trace = 2.412629748412568 (1.3835e-09% change) linmin: converged after 8 iterations. iteration 1412: trace = 2.41262974840202 (4.372e-10% change) linmin: converged after 14 iterations. iteration 1413: trace = 2.412629748384774 (7.14849e-10% change) linmin: converged after 6 iterations. iteration 1414: trace = 2.412629748353457 (1.29803e-09% change) linmin: converged after 13 iterations. iteration 1415: trace = 2.412629748338688 (6.12157e-10% change) large trace change predicted (1.35959e-09%) linmin: converged after 4 iterations. iteration 1416: trace = 2.412629748305889 (1.35947e-09% change) linmin: converged after 16 iterations. iteration 1417: trace = 2.412629748243453 (2.58786e-09% change) linmin: converged after 5 iterations. iteration 1418: trace = 2.412629748234937 (3.52988e-10% change) large trace change predicted (1.6055e-09%) linmin: converged after 15 iterations. iteration 1419: trace = 2.412629748196201 (1.60556e-09% change) linmin: converged after 3 iterations. iteration 1420: trace = 2.41262974814839 (1.9817e-09% change) linmin: converged after 17 iterations. iteration 1421: trace = 2.412629748139647 (3.62376e-10% change) large trace change predicted (2.32667e-09%) linmin: converged after 18 iterations. iteration 1422: trace = 2.412629748083515 (2.32657e-09% change) linmin: converged after 3 iterations. iteration 1423: trace = 2.412629748058533 (1.03548e-09% change) linmin: converged after 5 iterations. iteration 1424: trace = 2.412629748050984 (3.12917e-10% change) large trace change predicted (7.04478e-10%) linmin: converged after 6 iterations. iteration 1425: trace = 2.412629748033984 (7.04614e-10% change) linmin: converged after 9 iterations. iteration 1426: trace = 2.412629748023947 (4.16032e-10% change) linmin: converged after 3 iterations. iteration 1427: trace = 2.412629748010754 (5.46812e-10% change) linmin: converged after 7 iterations. iteration 1428: trace = 2.412629748006832 (1.62551e-10% change) large trace change predicted (4.14574e-10%) linmin: converged after 4 iterations. iteration 1429: trace = 2.412629747996829 (4.14614e-10% change) linmin: converged after 8 iterations. iteration 1430: trace = 2.412629747994755 (8.596e-11% change) Finished solving for bands 1 to 10 after 1430 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 61.860286235809326 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.50771470305392 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279982786889 (0.898648% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473301341431463 (0.483148% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471539458515823 (0.0712615% change) large trace change predicted (0.219365%) linmin: converged after 3 iterations. iteration 5: trace = 2.46606039956428 (0.221932% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464718692554722 (0.0544217% change) linmin: converged after 4 iterations. iteration 7: trace = 2.463637014453641 (0.0438961% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462594368988349 (0.0423303% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462288240817333 (0.0124319% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461753497337372 (0.0217197% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461485711604765 (0.0108784% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461341462208516 (0.00586043% change) large trace change predicted (0.0129831%) linmin: converged after 3 iterations. iteration 13: trace = 2.461021331433153 (0.0130072% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460940983308066 (0.00326488% change) large trace change predicted (0.0070094%) linmin: converged after 5 iterations. iteration 15: trace = 2.460768690578465 (0.00700134% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460656771258455 (0.00454825% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460572306543038 (0.00343267% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460448113404519 (0.00504745% change) linmin: converged after 4 iterations. iteration 19: trace = 2.46037093323323 (0.00313688% change) large trace change predicted (0.00795694%) linmin: converged after 3 iterations. iteration 20: trace = 2.460174892129663 (0.00796827% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459920845914405 (0.0103269% change) linmin: converged after 3 iterations. iteration 22: trace = 2.459714145195984 (0.00840309% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459366806694677 (0.0141221% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459092984275435 (0.0111345% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458660151234783 (0.0176029% change) linmin: converged after 4 iterations. iteration 26: trace = 2.458377084737582 (0.0115137% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458263975578708 (0.00460107% change) large trace change predicted (0.0113359%) linmin: converged after 4 iterations. iteration 28: trace = 2.457987586551666 (0.0112439% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457775665989705 (0.00862208% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457672796834062 (0.00418555% change) linmin: converged after 4 iterations. iteration 31: trace = 2.45750196427104 (0.00695123% change) linmin: converged after 5 iterations. iteration 32: trace = 2.457365991515835 (0.00553312% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457317465517544 (0.00197474% change) large trace change predicted (0.00496185%) linmin: converged after 4 iterations. iteration 34: trace = 2.457195977571356 (0.00494405% change) linmin: converged after 4 iterations. iteration 35: trace = 2.45714454022532 (0.00209336% change) linmin: converged after 4 iterations. iteration 36: trace = 2.457082462190103 (0.00252646% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457026996661237 (0.0022574% change) linmin: converged after 3 iterations. iteration 38: trace = 2.456984875765936 (0.00171432% change) linmin: converged after 10 iterations. iteration 39: trace = 2.456939733499938 (0.00183732% change) linmin: converged after 3 iterations. iteration 40: trace = 2.45686993153104 (0.00284105% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456833486791262 (0.00148339% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456764018969932 (0.00282757% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456635011327653 (0.00525126% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456573238779619 (0.00251455% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456461361971908 (0.00455429% change) large trace change predicted (0.00975257%) linmin: converged after 4 iterations. iteration 46: trace = 2.456219141349464 (0.00986104% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456162225861103 (0.00231723% change) large trace change predicted (0.010097%) linmin: converged after 4 iterations. iteration 48: trace = 2.455911349302431 (0.0102147% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455767438203243 (0.00585996% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455708609869124 (0.00239555% change) large trace change predicted (0.00907787%) linmin: converged after 3 iterations. iteration 51: trace = 2.455484958004806 (0.00910784% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455407837545667 (0.00314079% change) linmin: converged after 5 iterations. iteration 53: trace = 2.45534612170731 (0.0025135% change) large trace change predicted (0.00508846%) linmin: converged after 4 iterations. iteration 54: trace = 2.455220891477158 (0.00510044% change) linmin: converged after 3 iterations. iteration 55: trace = 2.455180517939868 (0.00164441% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455133158960703 (0.00192896% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455084083714092 (0.0019989% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455067086825381 (0.000692316% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455040282039228 (0.00109182% change) linmin: converged after 3 iterations. iteration 60: trace = 2.455008796079609 (0.00128251% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454995528267678 (0.00054044% change) large trace change predicted (0.00171875%) linmin: converged after 3 iterations. iteration 62: trace = 2.454953265520071 (0.00172151% change) linmin: converged after 4 iterations. iteration 63: trace = 2.454877669183797 (0.00307939% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454855386463126 (0.000907696% change) large trace change predicted (0.0056963%) linmin: converged after 4 iterations. iteration 65: trace = 2.454715744455985 (0.00568856% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454626052809897 (0.00365392% change) linmin: converged after 4 iterations. iteration 67: trace = 2.454576348349121 (0.00202495% change) large trace change predicted (0.00626673%) linmin: converged after 4 iterations. iteration 68: trace = 2.454423009989448 (0.00624723% change) linmin: converged after 6 iterations. iteration 69: trace = 2.454354595011929 (0.00278745% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454328049840125 (0.00108156% change) linmin: converged after 4 iterations. iteration 71: trace = 2.454278406356678 (0.00202271% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454244068422078 (0.00139911% change) linmin: converged after 4 iterations. iteration 73: trace = 2.454223276134775 (0.000847201% change) linmin: converged after 3 iterations. iteration 74: trace = 2.454185869974308 (0.00152417% change) linmin: converged after 15 iterations. iteration 75: trace = 2.454171641318941 (0.000579773% change) linmin: converged after 3 iterations. iteration 76: trace = 2.454153688915184 (0.000731508% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454136392266904 (0.000704793% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454128761359055 (0.000310941% change) linmin: converged after 3 iterations. iteration 79: trace = 2.454117636538877 (0.000453311% change) linmin: converged after 4 iterations. iteration 80: trace = 2.454101866012922 (0.000642617% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454096363121989 (0.000224233% change) large trace change predicted (0.000568545%) linmin: converged after 4 iterations. iteration 82: trace = 2.454082411924395 (0.000568488% change) linmin: converged after 4 iterations. iteration 83: trace = 2.454063340590714 (0.00077713% change) linmin: converged after 4 iterations. iteration 84: trace = 2.454052067881331 (0.00045935% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454031954657387 (0.000819596% change) linmin: converged after 6 iterations. iteration 86: trace = 2.454005056751423 (0.00109608% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453992315924141 (0.000519186% change) large trace change predicted (0.0013848%) linmin: converged after 4 iterations. iteration 88: trace = 2.453958344471397 (0.00138434% change) linmin: converged after 4 iterations. iteration 89: trace = 2.453919724097497 (0.00157381% change) linmin: converged after 3 iterations. iteration 90: trace = 2.453895422148807 (0.000990337% change) linmin: converged after 3 iterations. iteration 91: trace = 2.453861200744873 (0.00139458% change) linmin: converged after 4 iterations. iteration 92: trace = 2.453828359981935 (0.00133834% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453821160013091 (0.000293418% change) large trace change predicted (0.00127971%) linmin: converged after 3 iterations. iteration 94: trace = 2.453789760295599 (0.00127963% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453782839785523 (0.000282034% change) large trace change predicted (0.000821323%) linmin: converged after 4 iterations. iteration 96: trace = 2.453762701445366 (0.000820709% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453747323268148 (0.00062672% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453734410613935 (0.000526244% change) linmin: converged after 6 iterations. iteration 99: trace = 2.453728558469854 (0.0002385% change) large trace change predicted (0.000528865%) linmin: converged after 3 iterations. iteration 100: trace = 2.453715580064996 (0.000528927% change) linmin: converged after 6 iterations. iteration 101: trace = 2.45370906789627 (0.000265401% change) linmin: converged after 4 iterations. iteration 102: trace = 2.453701934562857 (0.000290717% change) large trace change predicted (0.000652126%) linmin: converged after 7 iterations. iteration 103: trace = 2.45368594019516 (0.000651849% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453675088535919 (0.00044226% change) large trace change predicted (0.000944778%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651917353076 (0.00094435% change) large trace change predicted (0.00208655%) linmin: converged after 3 iterations. iteration 106: trace = 2.453600549823003 (0.00209354% change) linmin: converged after 4 iterations. iteration 107: trace = 2.453583775135342 (0.000683679% change) large trace change predicted (0.00174931%) linmin: converged after 3 iterations. iteration 108: trace = 2.45354066995481 (0.00175684% change) linmin: converged after 3 iterations. iteration 109: trace = 2.453478558269899 (0.00253154% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453465371617872 (0.000537469% change) large trace change predicted (0.00221749%) linmin: converged after 4 iterations. iteration 111: trace = 2.453410879930438 (0.00222103% change) linmin: converged after 3 iterations. iteration 112: trace = 2.453386119992111 (0.00100921% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376829454921 (0.000378683% change) large trace change predicted (0.00112113%) linmin: converged after 4 iterations. iteration 114: trace = 2.45334932389405 (0.00112114% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453339059312064 (0.000418391% change) linmin: converged after 4 iterations. iteration 116: trace = 2.453329074920547 (0.000406972% change) linmin: converged after 4 iterations. iteration 117: trace = 2.453316125175536 (0.000527845% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453302777414211 (0.000544072% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453296519716277 (0.000255073% change) large trace change predicted (0.000595277%) linmin: converged after 5 iterations. iteration 120: trace = 2.453281913362564 (0.000595378% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453276179414872 (0.000233726% change) large trace change predicted (0.000479035%) linmin: converged after 4 iterations. iteration 122: trace = 2.453264433113705 (0.000478802% change) linmin: converged after 3 iterations. iteration 123: trace = 2.453247650840412 (0.000684082% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453237175878733 (0.000426984% change) large trace change predicted (0.00103435%) linmin: converged after 3 iterations. iteration 125: trace = 2.45321175833079 (0.00103609% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161836789655 (0.00203497% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453136943820686 (0.00101474% change) large trace change predicted (0.00303563%) linmin: converged after 3 iterations. iteration 128: trace = 2.453062198821665 (0.00304696% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452971687220248 (0.00368981% change) linmin: converged after 5 iterations. iteration 130: trace = 2.452952719651895 (0.000773252% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452920246405414 (0.00132385% change) linmin: converged after 3 iterations. iteration 132: trace = 2.452898075550652 (0.00090386% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452891066982815 (0.000285726% change) large trace change predicted (0.00129603%) linmin: converged after 3 iterations. iteration 134: trace = 2.452859259748157 (0.00129673% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452841944970662 (0.000705904% change) linmin: converged after 6 iterations. iteration 136: trace = 2.452829022758796 (0.000526828% change) linmin: converged after 5 iterations. iteration 137: trace = 2.452814740053313 (0.000582297% change) linmin: converged after 5 iterations. iteration 138: trace = 2.452798607868474 (0.000657703% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452783091894057 (0.000632584% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.452772864559527 (0.000416969% change) linmin: converged after 3 iterations. iteration 141: trace = 2.45276564578857 (0.000294311% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757569931381 (0.000329256% change) linmin: converged after 3 iterations. iteration 143: trace = 2.452751215744544 (0.000259063% change) linmin: converged after 6 iterations. iteration 144: trace = 2.452740478367883 (0.00043777% change) linmin: converged after 3 iterations. iteration 145: trace = 2.45272796461011 (0.000510196% change) linmin: converged after 6 iterations. iteration 146: trace = 2.452721870767348 (0.000248452% change) large trace change predicted (0.000697412%) linmin: converged after 3 iterations. iteration 147: trace = 2.452704767358166 (0.000697326% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683439031477 (0.000869588% change) linmin: converged after 3 iterations. iteration 149: trace = 2.452675055612146 (0.000341807% change) large trace change predicted (0.000922709%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652474548771 (0.000920675% change) linmin: converged after 5 iterations. iteration 151: trace = 2.452626484670889 (0.00105967% change) linmin: converged after 6 iterations. iteration 152: trace = 2.452606336104599 (0.000821513% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596872649337 (0.000385854% change) linmin: converged after 4 iterations. iteration 154: trace = 2.45258080240387 (0.000655236% change) linmin: converged after 5 iterations. iteration 155: trace = 2.452577017227605 (0.000154335% change) large trace change predicted (0.000345562%) linmin: converged after 4 iterations. iteration 156: trace = 2.452568544228895 (0.000345474% change) linmin: converged after 3 iterations. iteration 157: trace = 2.452559923258948 (0.000351508% change) linmin: converged after 5 iterations. iteration 158: trace = 2.45255749190203 (9.91355e-05% change) large trace change predicted (0.000265168%) linmin: converged after 3 iterations. iteration 159: trace = 2.452550990196343 (0.000265099% change) linmin: converged after 4 iterations. iteration 160: trace = 2.452546645264411 (0.00017716% change) linmin: converged after 3 iterations. iteration 161: trace = 2.45254488778148 (7.16595e-05% change) large trace change predicted (0.000201742%) linmin: converged after 5 iterations. iteration 162: trace = 2.452539939954369 (0.000201743% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452534223397531 (0.000233087% change) linmin: converged after 2 iterations. iteration 164: trace = 2.452531384321836 (0.000115761% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452526111027428 (0.000215015% change) linmin: converged after 3 iterations. iteration 166: trace = 2.452517635126639 (0.000345599% change) linmin: converged after 4 iterations. iteration 167: trace = 2.452513021443798 (0.00018812% change) large trace change predicted (0.000785081%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493740445655 (0.000786176% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452487042769137 (0.000273097% change) large trace change predicted (0.000590961%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472540720524 (0.000591322% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455771105324 (0.000683786% change) linmin: converged after 3 iterations. iteration 172: trace = 2.452446625186852 (0.00037293% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452435132005566 (0.000468643% change) linmin: converged after 3 iterations. iteration 174: trace = 2.45242164008154 (0.000550145% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452417256210523 (0.000178757% change) linmin: converged after 3 iterations. iteration 176: trace = 2.452409452991004 (0.000318185% change) linmin: converged after 3 iterations. iteration 177: trace = 2.452400190122135 (0.000377706% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397620402748 (0.000104784% change) large trace change predicted (0.000246905%) linmin: converged after 4 iterations. iteration 179: trace = 2.452391564010936 (0.000246958% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452387026065979 (0.000185042% change) linmin: converged after 5 iterations. iteration 181: trace = 2.452383704601963 (0.000135438% change) linmin: converged after 3 iterations. iteration 182: trace = 2.452381725904916 (8.06847e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452377821300391 (0.000159217% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452376912873009 (3.70427e-05% change) large trace change predicted (0.000150732%) linmin: converged after 3 iterations. iteration 185: trace = 2.45237321650529 (0.000150726% change) linmin: converged after 22 iterations. iteration 186: trace = 2.452368785986729 (0.000180663% change) linmin: converged after 3 iterations. iteration 187: trace = 2.45236695458577 (7.46789e-05% change) large trace change predicted (0.000410093%) linmin: converged after 3 iterations. iteration 188: trace = 2.452356898070279 (0.000410075% change) linmin: converged after 3 iterations. iteration 189: trace = 2.45234851150329 (0.00034198% change) linmin: converged after 3 iterations. iteration 190: trace = 2.452345252414264 (0.000132897% change) large trace change predicted (0.00053211%) linmin: converged after 3 iterations. iteration 191: trace = 2.452332209059771 (0.000531874% change) linmin: converged after 3 iterations. iteration 192: trace = 2.452322441181365 (0.000398311% change) linmin: converged after 4 iterations. iteration 193: trace = 2.452318079030361 (0.000177879% change) linmin: converged after 3 iterations. iteration 194: trace = 2.452310587044987 (0.000305507% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452304370412286 (0.000253501% change) linmin: converged after 3 iterations. iteration 196: trace = 2.452300506196531 (0.000157575% change) linmin: converged after 4 iterations. iteration 197: trace = 2.45229395579624 (0.000267113% change) linmin: converged after 4 iterations. iteration 198: trace = 2.452291005908282 (0.000120291% change) linmin: converged after 5 iterations. iteration 199: trace = 2.452287820914326 (0.000129878% change) linmin: converged after 4 iterations. iteration 200: trace = 2.452285194726671 (0.000107091% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452283022466998 (8.85811e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.452281453232636 (6.39908e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278361770711 (0.000126065% change) linmin: converged after 3 iterations. iteration 204: trace = 2.452276231683969 (8.68616e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.452274703833624 (6.23034e-05% change) large trace change predicted (0.000233601%) linmin: converged after 3 iterations. iteration 206: trace = 2.452268971292631 (0.000233764% change) linmin: converged after 4 iterations. iteration 207: trace = 2.452266423018866 (0.000103915% change) large trace change predicted (0.0002377%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260589954119 (0.000237865% change) large trace change predicted (0.000480493%) linmin: converged after 5 iterations. iteration 209: trace = 2.452248791651652 (0.000481121% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.452242498945916 (0.00025661% change) linmin: converged after 3 iterations. iteration 211: trace = 2.452237386387564 (0.000208485% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452232813805456 (0.000186466% change) linmin: converged after 4 iterations. iteration 213: trace = 2.452230688368727 (8.66736e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.452227150484515 (0.000144272% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452224693494127 (0.000100194% change) linmin: converged after 3 iterations. iteration 216: trace = 2.452223763022655 (3.7944e-05% change) large trace change predicted (9.6807e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.452221389372971 (9.67958e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452219240522737 (8.76288e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.452218197867833 (4.25188e-05% change) linmin: converged after 5 iterations. iteration 220: trace = 2.452216293957239 (7.76404e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.452213042569698 (0.00013259% change) linmin: converged after 3 iterations. iteration 222: trace = 2.452212283745138 (3.09445e-05% change) large trace change predicted (0.000159554%) linmin: converged after 3 iterations. iteration 223: trace = 2.452208369471056 (0.000159622% change) linmin: converged after 5 iterations. iteration 224: trace = 2.452204258211534 (0.000167656% change) linmin: converged after 3 iterations. iteration 225: trace = 2.452202429024763 (7.45936e-05% change) large trace change predicted (0.00016201%) linmin: converged after 3 iterations. iteration 226: trace = 2.452198458635547 (0.000161911% change) linmin: converged after 7 iterations. iteration 227: trace = 2.452193147621712 (0.000216582% change) linmin: converged after 4 iterations. iteration 228: trace = 2.452191198120294 (7.95004e-05% change) large trace change predicted (0.000335508%) linmin: converged after 3 iterations. iteration 229: trace = 2.45218296425248 (0.000335776% change) linmin: converged after 3 iterations. iteration 230: trace = 2.45217727084023 (0.000232178% change) linmin: converged after 19 iterations. iteration 231: trace = 2.452175238867355 (8.28641e-05% change) large trace change predicted (0.000282658%) linmin: converged after 4 iterations. iteration 232: trace = 2.452168300599991 (0.000282944% change) linmin: converged after 3 iterations. iteration 233: trace = 2.452165973166695 (9.49133e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.452163682969978 (9.33949e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452161276976718 (9.81172e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.452158838619732 (9.94371e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452157879874455 (3.9098e-05% change) large trace change predicted (0.000127465%) linmin: converged after 3 iterations. iteration 238: trace = 2.452154753652849 (0.000127489% change) linmin: converged after 4 iterations. iteration 239: trace = 2.45215347214886 (5.22603e-05% change) linmin: converged after 10 iterations. iteration 240: trace = 2.45215179141515 (6.85412e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.452148892628347 (0.000118214% change) linmin: converged after 3 iterations. iteration 242: trace = 2.452147610591062 (5.22822e-05% change) large trace change predicted (0.000112811%) linmin: converged after 4 iterations. iteration 243: trace = 2.452144844254411 (0.000112813% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452141771325752 (0.000125316% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452139925339862 (7.52806e-05% change) large trace change predicted (0.000197854%) linmin: converged after 4 iterations. iteration 246: trace = 2.452135076683835 (0.000197732% change) linmin: converged after 3 iterations. iteration 247: trace = 2.452126601465573 (0.000345627% change) linmin: converged after 8 iterations. iteration 248: trace = 2.452124015257994 (0.000105468% change) large trace change predicted (0.000409101%) linmin: converged after 4 iterations. iteration 249: trace = 2.452113988038768 (0.000408921% change) linmin: converged after 19 iterations. iteration 250: trace = 2.452107581203868 (0.000261278% change) linmin: converged after 5 iterations. iteration 251: trace = 2.452104433262198 (0.000128377% change) large trace change predicted (0.000287771%) linmin: converged after 4 iterations. iteration 252: trace = 2.452097378020506 (0.000287722% change) linmin: converged after 5 iterations. iteration 253: trace = 2.45209241188252 (0.000202526% change) linmin: converged after 4 iterations. iteration 254: trace = 2.452091460119846 (3.88143e-05% change) large trace change predicted (0.000105384%) linmin: converged after 6 iterations. iteration 255: trace = 2.452088876182944 (0.000105377% change) linmin: converged after 3 iterations. iteration 256: trace = 2.45208680887471 (8.43081e-05% change) linmin: converged after 5 iterations. iteration 257: trace = 2.452086265056493 (2.21778e-05% change) large trace change predicted (8.91398e-05%) linmin: converged after 4 iterations. iteration 258: trace = 2.452084079247837 (8.91408e-05% change) linmin: converged after 4 iterations. iteration 259: trace = 2.452082938501476 (4.65215e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.452082108102748 (3.3865e-05% change) large trace change predicted (0.000107459%) linmin: converged after 3 iterations. iteration 261: trace = 2.452079472830571 (0.000107471% change) linmin: converged after 4 iterations. iteration 262: trace = 2.452078406763933 (4.3476e-05% change) large trace change predicted (0.000150546%) linmin: converged after 3 iterations. iteration 263: trace = 2.452074714380673 (0.000150582% change) linmin: converged after 3 iterations. iteration 264: trace = 2.452070203846211 (0.000183948% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452066388322614 (0.000155604% change) linmin: converged after 10 iterations. iteration 266: trace = 2.452064302888078 (8.50481e-05% change) large trace change predicted (0.000329964%) linmin: converged after 3 iterations. iteration 267: trace = 2.452056199945783 (0.000330454% change) linmin: converged after 3 iterations. iteration 268: trace = 2.452050887962944 (0.000216634% change) linmin: converged after 12 iterations. iteration 269: trace = 2.452047126060649 (0.000153419% change) large trace change predicted (0.000370599%) linmin: converged after 5 iterations. iteration 270: trace = 2.45203802733286 (0.000371067% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452035631768938 (9.76969e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.45203085590067 (0.000194772% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452026903052491 (0.000161207% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452025431221782 (6.00251e-05% change) linmin: converged after 3 iterations. iteration 275: trace = 2.452023709332568 (7.02232e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.45202099006835 (0.000110899% change) linmin: converged after 4 iterations. iteration 277: trace = 2.452020490774623 (2.03625e-05% change) large trace change predicted (0.000113105%) linmin: converged after 3 iterations. iteration 278: trace = 2.452017717059438 (0.00011312% change) large trace change predicted (0.000256793%) linmin: converged after 3 iterations. iteration 279: trace = 2.452011419710776 (0.000256823% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.452007937293881 (0.000142023% change) linmin: converged after 3 iterations. iteration 281: trace = 2.45200566157314 (9.28105e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.452003363192117 (9.37348e-05% change) linmin: converged after 4 iterations. iteration 283: trace = 2.452002805243791 (2.27548e-05% change) large trace change predicted (7.26721e-05%) linmin: converged after 5 iterations. iteration 284: trace = 2.452001024142247 (7.26387e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.451999091407722 (7.88228e-05% change) linmin: converged after 5 iterations. iteration 286: trace = 2.451998306175966 (3.20242e-05% change) large trace change predicted (0.000167509%) linmin: converged after 6 iterations. iteration 287: trace = 2.451994201760408 (0.000167391% change) linmin: converged after 4 iterations. iteration 288: trace = 2.451992195534391 (8.18202e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.451989562009176 (0.000107404% change) linmin: converged after 8 iterations. iteration 290: trace = 2.451984956002864 (0.000187848% change) linmin: converged after 6 iterations. iteration 291: trace = 2.451980733331367 (0.000172215% change) linmin: converged after 14 iterations. iteration 292: trace = 2.451977978508244 (0.000112351% change) large trace change predicted (0.000235135%) linmin: converged after 6 iterations. iteration 293: trace = 2.451972219922447 (0.000234855% change) linmin: converged after 5 iterations. iteration 294: trace = 2.451971282391665 (3.82358e-05% change) large trace change predicted (0.000107202%) linmin: converged after 4 iterations. iteration 295: trace = 2.451968654492821 (0.000107175% change) linmin: converged after 3 iterations. iteration 296: trace = 2.451966654004609 (8.15871e-05% change) linmin: converged after 7 iterations. iteration 297: trace = 2.451965715023279 (3.8295e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451964193644423 (6.20473e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.45196289075611 (5.31365e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.451962397716691 (2.01079e-05% change) large trace change predicted (4.39152e-05%) linmin: converged after 3 iterations. iteration 301: trace = 2.451961320829013 (4.39194e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.451960176323062 (4.66772e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.451959785806051 (1.59267e-05% change) large trace change predicted (4.19331e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451958757556499 (4.19358e-05% change) linmin: converged after 3 iterations. iteration 305: trace = 2.451957188623683 (6.39869e-05% change) linmin: converged after 5 iterations. iteration 306: trace = 2.451956743819295 (1.81408e-05% change) large trace change predicted (0.000113122%) linmin: converged after 3 iterations. iteration 307: trace = 2.451953968540599 (0.000113186% change) linmin: converged after 4 iterations. iteration 308: trace = 2.451950682190864 (0.00013403% change) linmin: converged after 3 iterations. iteration 309: trace = 2.451949586873829 (4.46713e-05% change) large trace change predicted (0.000144601%) linmin: converged after 7 iterations. iteration 310: trace = 2.451946039642975 (0.00014467% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451942661761291 (0.000137763% change) linmin: converged after 4 iterations. iteration 312: trace = 2.451941073178349 (6.47888e-05% change) large trace change predicted (0.000130091%) linmin: converged after 3 iterations. iteration 313: trace = 2.451937879559729 (0.000130249% change) linmin: converged after 5 iterations. iteration 314: trace = 2.451936133911312 (7.11947e-05% change) linmin: converged after 4 iterations. iteration 315: trace = 2.451935124194667 (4.11804e-05% change) large trace change predicted (8.23774e-05%) linmin: converged after 3 iterations. iteration 316: trace = 2.451933103409823 (8.2416e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.451932381918807 (2.94254e-05% change) linmin: converged after 4 iterations. iteration 318: trace = 2.451930980700404 (5.71475e-05% change) linmin: converged after 4 iterations. iteration 319: trace = 2.451929800936276 (4.81157e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.45192915900566 (2.61806e-05% change) linmin: converged after 21 iterations. iteration 321: trace = 2.451928554370047 (2.46596e-05% change) linmin: converged after 5 iterations. iteration 322: trace = 2.451927415757741 (4.64374e-05% change) linmin: converged after 4 iterations. iteration 323: trace = 2.451927195310427 (8.99078e-06% change) large trace change predicted (2.75215e-05%) linmin: converged after 2 iterations. iteration 324: trace = 2.451926520496223 (2.75218e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.451925718850044 (3.26945e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.45192539812139 (1.30807e-05% change) large trace change predicted (5.2927e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451924100728234 (5.29133e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451922915689633 (4.8331e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451921980339363 (3.81476e-05% change) large trace change predicted (0.000105282%) linmin: converged after 3 iterations. iteration 330: trace = 2.451919399882307 (0.000105242% change) linmin: converged after 3 iterations. iteration 331: trace = 2.451916602136634 (0.000114104% change) linmin: converged after 5 iterations. iteration 332: trace = 2.451915700725463 (3.67635e-05% change) large trace change predicted (8.62062e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451913587130459 (8.62018e-05% change) linmin: converged after 18 iterations. iteration 334: trace = 2.451912018866607 (6.39608e-05% change) linmin: converged after 3 iterations. iteration 335: trace = 2.451911509146542 (2.07887e-05% change) large trace change predicted (6.04146e-05%) linmin: converged after 3 iterations. iteration 336: trace = 2.451910027856017 (6.04137e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.451908868673913 (4.72767e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.451908528775529 (1.38626e-05% change) large trace change predicted (3.33001e-05%) linmin: converged after 3 iterations. iteration 339: trace = 2.451907712279616 (3.33004e-05% change) linmin: converged after 3 iterations. iteration 340: trace = 2.451907220608085 (2.00526e-05% change) linmin: converged after 3 iterations. iteration 341: trace = 2.451906893576371 (1.33379e-05% change) large trace change predicted (3.29364e-05%) linmin: converged after 4 iterations. iteration 342: trace = 2.451906085846197 (3.29429e-05% change) linmin: converged after 3 iterations. iteration 343: trace = 2.451905851117322 (9.57332e-06% change) large trace change predicted (1.9423e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.45190537480853 (1.94261e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451904613692577 (3.10418e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.451903950951736 (2.70296e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.451902989867034 (3.91975e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.45190143266986 (6.35098e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451900650459984 (3.19022e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.451900042226044 (2.48066e-05% change) linmin: converged after 4 iterations. iteration 351: trace = 2.451898899055719 (4.66239e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.451897931760324 (3.94509e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.451897568883616 (1.47998e-05% change) large trace change predicted (3.37269e-05%) linmin: converged after 4 iterations. iteration 354: trace = 2.451896741969402 (3.37255e-05% change) linmin: converged after 3 iterations. iteration 355: trace = 2.45189629253115 (1.83302e-05% change) linmin: converged after 6 iterations. iteration 356: trace = 2.451896104234498 (7.67963e-06% change) large trace change predicted (2.9468e-05%) linmin: converged after 4 iterations. iteration 357: trace = 2.451895381637221 (2.9471e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451894981236786 (1.63302e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.451894621399099 (1.46759e-05% change) linmin: converged after 3 iterations. iteration 360: trace = 2.451894120780823 (2.04176e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.451893565743406 (2.26371e-05% change) linmin: converged after 3 iterations. iteration 362: trace = 2.451893233918858 (1.35334e-05% change) large trace change predicted (5.09333e-05%) linmin: converged after 3 iterations. iteration 363: trace = 2.451891984840128 (5.09435e-05% change) linmin: converged after 3 iterations. iteration 364: trace = 2.451891248616147 (3.00268e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.451890582969592 (2.71483e-05% change) large trace change predicted (5.45608e-05%) linmin: converged after 4 iterations. iteration 366: trace = 2.451889244488425 (5.45898e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451888242906374 (4.08494e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.451887492270027 (3.06146e-05% change) large trace change predicted (6.60247e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.451885872350464 (6.60683e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451884568812907 (5.31647e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451883838751433 (2.97755e-05% change) linmin: converged after 4 iterations. iteration 372: trace = 2.451882382662489 (5.93866e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.451882090876623 (1.19005e-05% change) large trace change predicted (3.15411e-05%) linmin: converged after 3 iterations. iteration 374: trace = 2.451881317428886 (3.15451e-05% change) linmin: converged after 3 iterations. iteration 375: trace = 2.451880885930459 (1.75987e-05% change) linmin: converged after 3 iterations. iteration 376: trace = 2.451880465982764 (1.71276e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.45188011646527 (1.42551e-05% change) linmin: converged after 3 iterations. iteration 378: trace = 2.45187942886339 (2.80439e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.451879012444056 (1.69837e-05% change) linmin: converged after 3 iterations. iteration 380: trace = 2.451878704768865 (1.25485e-05% change) large trace change predicted (3.95856e-05%) linmin: converged after 4 iterations. iteration 381: trace = 2.451877734156823 (3.95865e-05% change) linmin: converged after 4 iterations. iteration 382: trace = 2.451877400244555 (1.36186e-05% change) large trace change predicted (2.74423e-05%) linmin: converged after 3 iterations. iteration 383: trace = 2.451876727479219 (2.74388e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.451875903460043 (3.36077e-05% change) linmin: converged after 5 iterations. iteration 385: trace = 2.451874732620143 (4.77528e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.4518739795851 (3.07126e-05% change) large trace change predicted (9.13966e-05%) linmin: converged after 8 iterations. iteration 387: trace = 2.451871740135247 (9.13363e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.451870775070353 (3.93603e-05% change) linmin: converged after 5 iterations. iteration 389: trace = 2.451869133667522 (6.69449e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.45186754104777 (6.49554e-05% change) linmin: converged after 4 iterations. iteration 391: trace = 2.451866672045315 (3.54425e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451865782642812 (3.62745e-05% change) linmin: converged after 4 iterations. iteration 393: trace = 2.451864887472453 (3.65098e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.451864542374731 (1.40749e-05% change) linmin: converged after 4 iterations. iteration 395: trace = 2.451864089642331 (1.84648e-05% change) linmin: converged after 3 iterations. iteration 396: trace = 2.451863498996483 (2.40897e-05% change) linmin: converged after 3 iterations. iteration 397: trace = 2.451863385806443 (4.61649e-06% change) large trace change predicted (2.39581e-05%) linmin: converged after 7 iterations. iteration 398: trace = 2.451862798409081 (2.39572e-05% change) linmin: converged after 5 iterations. iteration 399: trace = 2.451862506251573 (1.19157e-05% change) linmin: converged after 2 iterations. iteration 400: trace = 2.451862278684115 (9.28141e-06% change) large trace change predicted (3.10717e-05%) linmin: converged after 4 iterations. iteration 401: trace = 2.451861516732112 (3.10765e-05% change) linmin: converged after 4 iterations. iteration 402: trace = 2.451860464433226 (4.29184e-05% change) linmin: converged after 5 iterations. iteration 403: trace = 2.451860052183384 (1.68138e-05% change) large trace change predicted (3.81403e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451859116573142 (3.81592e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451857717333121 (5.70685e-05% change) linmin: converged after 5 iterations. iteration 406: trace = 2.451857076774388 (2.61254e-05% change) large trace change predicted (6.15093e-05%) linmin: converged after 4 iterations. iteration 407: trace = 2.451855567742648 (6.15465e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451853925815909 (6.69667e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.451853380471139 (2.22421e-05% change) large trace change predicted (7.13001e-05%) linmin: converged after 4 iterations. iteration 410: trace = 2.451851630923395 (7.13562e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.45185069254613 (3.82722e-05% change) linmin: converged after 4 iterations. iteration 412: trace = 2.451850186458592 (2.0641e-05% change) linmin: converged after 3 iterations. iteration 413: trace = 2.451849428810823 (3.09011e-05% change) linmin: converged after 4 iterations. iteration 414: trace = 2.451848997113776 (1.7607e-05% change) linmin: converged after 4 iterations. iteration 415: trace = 2.451848818800029 (7.27262e-06% change) large trace change predicted (2.18594e-05%) linmin: converged after 3 iterations. iteration 416: trace = 2.451848282794618 (2.18613e-05% change) linmin: converged after 4 iterations. iteration 417: trace = 2.451847774055539 (2.07492e-05% change) linmin: converged after 3 iterations. iteration 418: trace = 2.451847394936717 (1.54626e-05% change) large trace change predicted (9.60696e-05%) linmin: converged after 4 iterations. iteration 419: trace = 2.45184503895197 (9.60902e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.451843145458789 (7.72273e-05% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451842837886512 (1.25445e-05% change) linmin: converged after 4 iterations. iteration 422: trace = 2.451842252395679 (2.38796e-05% change) linmin: converged after 4 iterations. iteration 423: trace = 2.451841955036774 (1.2128e-05% change) linmin: converged after 2 iterations. iteration 424: trace = 2.451841754096918 (8.19547e-06% change) large trace change predicted (1.82506e-05%) linmin: converged after 8 iterations. iteration 425: trace = 2.451841306656323 (1.82492e-05% change) linmin: converged after 3 iterations. iteration 426: trace = 2.451840985772879 (1.30874e-05% change) linmin: converged after 3 iterations. iteration 427: trace = 2.451840518213857 (1.90697e-05% change) linmin: converged after 3 iterations. iteration 428: trace = 2.45183968221713 (3.40967e-05% change) linmin: converged after 2 iterations. iteration 429: trace = 2.451839388901613 (1.19631e-05% change) large trace change predicted (4.31972e-05%) linmin: converged after 5 iterations. iteration 430: trace = 2.451838330230219 (4.31787e-05% change) linmin: converged after 4 iterations. iteration 431: trace = 2.451837215917176 (4.54481e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451836422398774 (3.23642e-05% change) linmin: converged after 3 iterations. iteration 433: trace = 2.45183551182298 (3.71385e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451834583576893 (3.78592e-05% change) linmin: converged after 4 iterations. iteration 435: trace = 2.451834257190954 (1.33119e-05% change) linmin: converged after 4 iterations. iteration 436: trace = 2.451833800090169 (1.86432e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451833222018397 (2.35771e-05% change) linmin: converged after 3 iterations. iteration 438: trace = 2.451833042893242 (7.30576e-06% change) linmin: converged after 4 iterations. iteration 439: trace = 2.451832769556568 (1.11483e-05% change) linmin: converged after 4 iterations. iteration 440: trace = 2.451832339114601 (1.75559e-05% change) linmin: converged after 3 iterations. iteration 441: trace = 2.451832234919812 (4.24967e-06% change) large trace change predicted (1.2701e-05%) linmin: converged after 7 iterations. iteration 442: trace = 2.451831923509183 (1.27011e-05% change) linmin: converged after 5 iterations. iteration 443: trace = 2.451831700084993 (9.11254e-06% change) linmin: converged after 4 iterations. iteration 444: trace = 2.451831535056271 (6.73083e-06% change) linmin: converged after 4 iterations. iteration 445: trace = 2.451831267811768 (1.08998e-05% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451830808272267 (1.87427e-05% change) linmin: converged after 4 iterations. iteration 447: trace = 2.451830657646738 (6.14339e-06% change) large trace change predicted (2.2566e-05%) linmin: converged after 3 iterations. iteration 448: trace = 2.451830104222972 (2.25719e-05% change) linmin: converged after 3 iterations. iteration 449: trace = 2.451829443959924 (2.69294e-05% change) linmin: converged after 16 iterations. iteration 450: trace = 2.451829204826478 (9.75327e-06% change) large trace change predicted (4.10713e-05%) linmin: converged after 3 iterations. iteration 451: trace = 2.451828197099738 (4.1101e-05% change) linmin: converged after 4 iterations. iteration 452: trace = 2.451827179935812 (4.14859e-05% change) linmin: converged after 4 iterations. iteration 453: trace = 2.451826938634397 (9.8417e-06% change) large trace change predicted (2.78289e-05%) linmin: converged after 5 iterations. iteration 454: trace = 2.451826256125261 (2.78368e-05% change) linmin: converged after 3 iterations. iteration 455: trace = 2.451825888014433 (1.50137e-05% change) linmin: converged after 4 iterations. iteration 456: trace = 2.451825751477064 (5.5688e-06% change) large trace change predicted (2.01026e-05%) linmin: converged after 4 iterations. iteration 457: trace = 2.4518252585135 (2.0106e-05% change) linmin: converged after 3 iterations. iteration 458: trace = 2.451824945777302 (1.27552e-05% change) linmin: converged after 3 iterations. iteration 459: trace = 2.451824717978925 (9.29097e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.451824480714475 (9.67706e-06% change) linmin: converged after 9 iterations. iteration 461: trace = 2.451824324158324 (6.38529e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.451824155145315 (6.89336e-06% change) linmin: converged after 2 iterations. iteration 463: trace = 2.45182399783568 (6.41602e-06% change) linmin: converged after 2 iterations. iteration 464: trace = 2.451823895842882 (4.15987e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.451823756152448 (5.69741e-06% change) large trace change predicted (1.39917e-05%) linmin: converged after 3 iterations. iteration 466: trace = 2.451823413130509 (1.39905e-05% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451823147593507 (1.08302e-05% change) linmin: converged after 4 iterations. iteration 468: trace = 2.451822956101799 (7.81018e-06% change) large trace change predicted (1.73209e-05%) linmin: converged after 3 iterations. iteration 469: trace = 2.451822531621547 (1.73128e-05% change) linmin: converged after 3 iterations. iteration 470: trace = 2.451821966604524 (2.30448e-05% change) linmin: converged after 4 iterations. iteration 471: trace = 2.451821679564698 (1.17072e-05% change) large trace change predicted (2.57654e-05%) linmin: converged after 3 iterations. iteration 472: trace = 2.451821047892069 (2.57634e-05% change) linmin: converged after 3 iterations. iteration 473: trace = 2.451820795220764 (1.03055e-05% change) linmin: converged after 3 iterations. iteration 474: trace = 2.451820422363109 (1.52074e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.451820028303715 (1.60721e-05% change) linmin: converged after 3 iterations. iteration 476: trace = 2.45181988301294 (5.92583e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.451819607610289 (1.12326e-05% change) linmin: converged after 6 iterations. iteration 478: trace = 2.451819411253974 (8.0086e-06% change) linmin: converged after 2 iterations. iteration 479: trace = 2.451819250858933 (6.54188e-06% change) linmin: converged after 3 iterations. iteration 480: trace = 2.451819142520704 (4.41869e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.45181894915045 (7.88681e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.451818908159762 (1.67185e-06% change) large trace change predicted (7.06934e-06%) linmin: converged after 2 iterations. iteration 483: trace = 2.451818734827377 (7.06954e-06% change) linmin: converged after 4 iterations. iteration 484: trace = 2.451818621605305 (4.61788e-06% change) linmin: converged after 2 iterations. iteration 485: trace = 2.45181855717596 (2.62782e-06% change) large trace change predicted (8.86674e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.451818339758141 (8.86761e-06% change) linmin: converged after 4 iterations. iteration 487: trace = 2.451818039774373 (1.22352e-05% change) linmin: converged after 3 iterations. iteration 488: trace = 2.45181782928482 (8.58504e-06% change) linmin: converged after 2 iterations. iteration 489: trace = 2.451817607700375 (9.03756e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.45181740139062 (8.41456e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.451817214165989 (7.63616e-06% change) linmin: converged after 14 iterations. iteration 492: trace = 2.451816953455445 (1.06334e-05% change) linmin: converged after 4 iterations. iteration 493: trace = 2.451816856199034 (3.96671e-06% change) linmin: converged after 18 iterations. iteration 494: trace = 2.45181668865298 (6.83355e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451816581108052 (4.38634e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.451816522921336 (2.37321e-06% change) large trace change predicted (5.42063e-06%) linmin: converged after 2 iterations. iteration 497: trace = 2.451816390016202 (5.42068e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.451816236862584 (6.24654e-06% change) linmin: converged after 2 iterations. iteration 499: trace = 2.451816196369909 (1.65154e-06% change) large trace change predicted (6.33184e-06%) linmin: converged after 2 iterations. iteration 500: trace = 2.451816041122899 (6.33192e-06% change) linmin: converged after 2 iterations. iteration 501: trace = 2.451815880269516 (6.56058e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.4518157979508 (3.35746e-06% change) large trace change predicted (1.10659e-05%) linmin: converged after 3 iterations. iteration 503: trace = 2.451815526628228 (1.10662e-05% change) linmin: converged after 3 iterations. iteration 504: trace = 2.45181524779273 (1.13726e-05% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451815140801394 (4.36376e-06% change) large trace change predicted (1.50339e-05%) linmin: converged after 3 iterations. iteration 506: trace = 2.451814772139567 (1.50363e-05% change) linmin: converged after 3 iterations. iteration 507: trace = 2.451814390243109 (1.55761e-05% change) linmin: converged after 4 iterations. iteration 508: trace = 2.451814257673841 (5.40699e-06% change) large trace change predicted (1.77406e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.45181382258678 (1.77455e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451813488572817 (1.36231e-05% change) linmin: converged after 3 iterations. iteration 511: trace = 2.45181337905926 (4.46663e-06% change) large trace change predicted (1.25277e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451813071871927 (1.2529e-05% change) linmin: converged after 4 iterations. iteration 513: trace = 2.451812965458403 (4.3402e-06% change) linmin: converged after 2 iterations. iteration 514: trace = 2.451812794892107 (6.95674e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.45181265102548 (5.86777e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.451812584109169 (2.72926e-06% change) linmin: converged after 6 iterations. iteration 517: trace = 2.451812503055646 (3.30586e-06% change) large trace change predicted (7.35531e-06%) linmin: converged after 4 iterations. iteration 518: trace = 2.451812322701358 (7.35596e-06% change) linmin: converged after 5 iterations. iteration 519: trace = 2.451812190452165 (5.39394e-06% change) linmin: converged after 4 iterations. iteration 520: trace = 2.451812128709439 (2.51825e-06% change) large trace change predicted (1.02278e-05%) linmin: converged after 3 iterations. iteration 521: trace = 2.451811877964458 (1.02269e-05% change) linmin: converged after 5 iterations. iteration 522: trace = 2.451811619713145 (1.05331e-05% change) linmin: converged after 2 iterations. iteration 523: trace = 2.451811547028351 (2.96453e-06% change) large trace change predicted (8.20809e-06%) linmin: converged after 4 iterations. iteration 524: trace = 2.451811345791546 (8.20768e-06% change) linmin: converged after 8 iterations. iteration 525: trace = 2.451811026196985 (1.3035e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451810912122944 (4.65264e-06% change) large trace change predicted (2.32876e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451810341412028 (2.32771e-05% change) linmin: converged after 4 iterations. iteration 528: trace = 2.451809851137934 (1.99964e-05% change) linmin: converged after 4 iterations. iteration 529: trace = 2.451809675859193 (7.14895e-06% change) large trace change predicted (1.45883e-05%) linmin: converged after 3 iterations. iteration 530: trace = 2.451809318261708 (1.4585e-05% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451809073689704 (9.97516e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451808954906473 (4.84472e-06% change) linmin: converged after 3 iterations. iteration 533: trace = 2.451808753830162 (8.20114e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451808615134364 (5.65688e-06% change) linmin: converged after 3 iterations. iteration 535: trace = 2.451808569382754 (1.86604e-06% change) large trace change predicted (6.75209e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451808403844729 (6.75167e-06% change) linmin: converged after 3 iterations. iteration 537: trace = 2.451808267968434 (5.54188e-06% change) linmin: converged after 5 iterations. iteration 538: trace = 2.451808219317527 (1.98429e-06% change) large trace change predicted (6.15955e-06%) linmin: converged after 2 iterations. iteration 539: trace = 2.451808068295888 (6.1596e-06% change) linmin: converged after 2 iterations. iteration 540: trace = 2.451807969190408 (4.04214e-06% change) linmin: converged after 3 iterations. iteration 541: trace = 2.451807881580413 (3.57328e-06% change) large trace change predicted (1.06756e-05%) linmin: converged after 3 iterations. iteration 542: trace = 2.451807619780237 (1.06778e-05% change) linmin: converged after 3 iterations. iteration 543: trace = 2.451807472462684 (6.00853e-06% change) linmin: converged after 4 iterations. iteration 544: trace = 2.451807282728721 (7.73853e-06% change) large trace change predicted (1.65747e-05%) linmin: converged after 3 iterations. iteration 545: trace = 2.45180687622346 (1.65798e-05% change) linmin: converged after 3 iterations. iteration 546: trace = 2.451806467786466 (1.66586e-05% change) linmin: converged after 3 iterations. iteration 547: trace = 2.451806265153763 (8.26463e-06% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451805885356181 (1.54905e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451805519557279 (1.49196e-05% change) linmin: converged after 2 iterations. iteration 550: trace = 2.451805423805365 (3.90536e-06% change) large trace change predicted (1.12828e-05%) linmin: converged after 3 iterations. iteration 551: trace = 2.451805147095077 (1.1286e-05% change) linmin: converged after 4 iterations. iteration 552: trace = 2.451804967551049 (7.32293e-06% change) linmin: converged after 7 iterations. iteration 553: trace = 2.451804906890541 (2.47412e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451804795981411 (4.52357e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451804704941243 (3.71319e-06% change) linmin: converged after 3 iterations. iteration 556: trace = 2.451804650213928 (2.23212e-06% change) large trace change predicted (7.1284e-06%) linmin: converged after 2 iterations. iteration 557: trace = 2.451804475429038 (7.12883e-06% change) linmin: converged after 4 iterations. iteration 558: trace = 2.45180423552933 (9.78462e-06% change) linmin: converged after 3 iterations. iteration 559: trace = 2.451803952547306 (1.15418e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451803690043992 (1.07065e-05% change) linmin: converged after 3 iterations. iteration 561: trace = 2.451803489637681 (8.17383e-06% change) linmin: converged after 3 iterations. iteration 562: trace = 2.451803344711974 (5.91098e-06% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451803307261764 (1.52746e-06% change) large trace change predicted (4.22117e-06%) linmin: converged after 3 iterations. iteration 564: trace = 2.451803203772565 (4.22094e-06% change) linmin: converged after 4 iterations. iteration 565: trace = 2.451803103824704 (4.0765e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.451803072631928 (1.27224e-06% change) large trace change predicted (6.98144e-06%) linmin: converged after 5 iterations. iteration 567: trace = 2.451802901487494 (6.98035e-06% change) linmin: converged after 21 iterations. iteration 568: trace = 2.451802748243241 (6.25027e-06% change) linmin: converged after 13 iterations. iteration 569: trace = 2.451802648298556 (4.07638e-06% change) large trace change predicted (1.22699e-05%) linmin: converged after 3 iterations. iteration 570: trace = 2.451802347539608 (1.22669e-05% change) linmin: converged after 3 iterations. iteration 571: trace = 2.451802101837098 (1.00213e-05% change) linmin: converged after 3 iterations. iteration 572: trace = 2.451802000093609 (4.14974e-06% change) large trace change predicted (1.41209e-05%) linmin: converged after 3 iterations. iteration 573: trace = 2.451801653997779 (1.4116e-05% change) linmin: converged after 3 iterations. iteration 574: trace = 2.451801505118786 (6.07223e-06% change) linmin: converged after 3 iterations. iteration 575: trace = 2.451801367890501 (5.59704e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.451801205995133 (6.60312e-06% change) linmin: converged after 6 iterations. iteration 577: trace = 2.451801086793752 (4.86179e-06% change) linmin: converged after 3 iterations. iteration 578: trace = 2.451801006329657 (3.28184e-06% change) linmin: converged after 3 iterations. iteration 579: trace = 2.451800898669398 (4.39107e-06% change) linmin: converged after 3 iterations. iteration 580: trace = 2.451800790729276 (4.40248e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451800767427684 (9.50387e-07% change) large trace change predicted (4.08087e-06%) linmin: converged after 4 iterations. iteration 582: trace = 2.451800667374386 (4.08081e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.451800642266509 (1.02406e-06% change) large trace change predicted (3.71919e-06%) linmin: converged after 3 iterations. iteration 584: trace = 2.451800551078031 (3.71925e-06% change) linmin: converged after 14 iterations. iteration 585: trace = 2.451800478448345 (2.9623e-06% change) linmin: converged after 3 iterations. iteration 586: trace = 2.451800433729111 (1.82393e-06% change) linmin: converged after 2 iterations. iteration 587: trace = 2.451800356093849 (3.16646e-06% change) linmin: converged after 3 iterations. iteration 588: trace = 2.45180022127994 (5.49857e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451800095187037 (5.14287e-06% change) linmin: converged after 25 iterations. iteration 590: trace = 2.451800027826406 (2.74739e-06% change) large trace change predicted (1.02889e-05%) linmin: converged after 3 iterations. iteration 591: trace = 2.451799775481042 (1.02922e-05% change) linmin: converged after 4 iterations. iteration 592: trace = 2.451799604542732 (6.97195e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.451799472762403 (5.37484e-06% change) linmin: converged after 3 iterations. iteration 594: trace = 2.451799288160204 (7.52925e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.451799220414594 (2.7631e-06% change) linmin: converged after 6 iterations. iteration 596: trace = 2.451799141589631 (3.21498e-06% change) large trace change predicted (6.69468e-06%) linmin: converged after 3 iterations. iteration 597: trace = 2.451798977415412 (6.69607e-06% change) linmin: converged after 5 iterations. iteration 598: trace = 2.451798907202838 (2.86372e-06% change) linmin: converged after 4 iterations. iteration 599: trace = 2.451798806725448 (4.09811e-06% change) linmin: converged after 4 iterations. iteration 600: trace = 2.451798744955311 (2.51938e-06% change) linmin: converged after 3 iterations. iteration 601: trace = 2.451798717977646 (1.10032e-06% change) large trace change predicted (2.2493e-06%) linmin: converged after 7 iterations. iteration 602: trace = 2.45179866282776 (2.24936e-06% change) linmin: converged after 2 iterations. iteration 603: trace = 2.451798624474216 (1.5643e-06% change) linmin: converged after 21 iterations. iteration 604: trace = 2.451798607403262 (6.96262e-07% change) large trace change predicted (1.75439e-06%) linmin: converged after 4 iterations. iteration 605: trace = 2.451798564389485 (1.75438e-06% change) linmin: converged after 4 iterations. iteration 606: trace = 2.451798480463105 (3.42305e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.451798464481587 (6.51828e-07% change) large trace change predicted (5.10743e-06%) linmin: converged after 3 iterations. iteration 608: trace = 2.451798339261964 (5.10726e-06% change) linmin: converged after 4 iterations. iteration 609: trace = 2.451798227895277 (4.54225e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451798099075118 (5.25411e-06% change) linmin: converged after 3 iterations. iteration 611: trace = 2.451798008671055 (3.68726e-06% change) linmin: converged after 4 iterations. iteration 612: trace = 2.451797836639171 (7.01656e-06% change) linmin: converged after 3 iterations. iteration 613: trace = 2.451797770561978 (2.69505e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.45179767240021 (4.00367e-06% change) linmin: converged after 5 iterations. iteration 615: trace = 2.451797570063726 (4.17394e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.451797539234786 (1.2574e-06% change) large trace change predicted (3.16585e-06%) linmin: converged after 16 iterations. iteration 617: trace = 2.451797461616998 (3.16575e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451797415898537 (1.86469e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451797391384495 (9.9984e-07% change) linmin: converged after 3 iterations. iteration 620: trace = 2.451797349745027 (1.69832e-06% change) linmin: converged after 22 iterations. iteration 621: trace = 2.451797303514128 (1.88559e-06% change) linmin: converged after 3 iterations. iteration 622: trace = 2.451797291463412 (4.91505e-07% change) large trace change predicted (1.93991e-06%) linmin: converged after 2 iterations. iteration 623: trace = 2.451797243900109 (1.93994e-06% change) linmin: converged after 4 iterations. iteration 624: trace = 2.451797215898385 (1.14209e-06% change) linmin: converged after 4 iterations. iteration 625: trace = 2.451797200167595 (6.41602e-07% change) large trace change predicted (2.65299e-06%) linmin: converged after 3 iterations. iteration 626: trace = 2.451797135117182 (2.65317e-06% change) linmin: converged after 3 iterations. iteration 627: trace = 2.45179706937465 (2.6814e-06% change) linmin: converged after 4 iterations. iteration 628: trace = 2.451797038848264 (1.24506e-06% change) large trace change predicted (3.32105e-06%) linmin: converged after 2 iterations. iteration 629: trace = 2.451796957420512 (3.32115e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.45179688406595 (2.99187e-06% change) linmin: converged after 7 iterations. iteration 631: trace = 2.451796857664886 (1.0768e-06% change) large trace change predicted (2.49748e-06%) linmin: converged after 14 iterations. iteration 632: trace = 2.451796796431998 (2.49747e-06% change) linmin: converged after 3 iterations. iteration 633: trace = 2.451796742746114 (2.18965e-06% change) linmin: converged after 3 iterations. iteration 634: trace = 2.45179672549273 (7.03704e-07% change) linmin: converged after 5 iterations. iteration 635: trace = 2.451796696231531 (1.19346e-06% change) linmin: converged after 11 iterations. iteration 636: trace = 2.451796657971069 (1.56051e-06% change) linmin: converged after 4 iterations. iteration 637: trace = 2.451796644183987 (5.62326e-07% change) large trace change predicted (1.88382e-06%) linmin: converged after 6 iterations. iteration 638: trace = 2.451796597994372 (1.88391e-06% change) linmin: converged after 5 iterations. iteration 639: trace = 2.451796580266738 (7.23047e-07% change) large trace change predicted (1.66903e-06%) linmin: converged after 5 iterations. iteration 640: trace = 2.451796539340779 (1.66922e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.451796498498058 (1.66583e-06% change) linmin: converged after 21 iterations. iteration 642: trace = 2.451796443756186 (2.23272e-06% change) linmin: converged after 14 iterations. iteration 643: trace = 2.451796413472104 (1.23518e-06% change) large trace change predicted (3.07581e-06%) linmin: converged after 3 iterations. iteration 644: trace = 2.451796338052268 (3.07611e-06% change) linmin: converged after 2 iterations. iteration 645: trace = 2.451796291826117 (1.8854e-06% change) linmin: converged after 4 iterations. iteration 646: trace = 2.451796225984467 (2.68545e-06% change) linmin: converged after 4 iterations. iteration 647: trace = 2.45179610962004 (4.74609e-06% change) linmin: converged after 2 iterations. iteration 648: trace = 2.45179606316144 (1.89488e-06% change) large trace change predicted (4.41533e-06%) linmin: converged after 3 iterations. iteration 649: trace = 2.451795954897916 (4.41568e-06% change) linmin: converged after 3 iterations. iteration 650: trace = 2.451795870946576 (3.42408e-06% change) linmin: converged after 3 iterations. iteration 651: trace = 2.451795779476049 (3.73076e-06% change) linmin: converged after 2 iterations. iteration 652: trace = 2.451795762924894 (6.75063e-07% change) large trace change predicted (2.79634e-06%) linmin: converged after 3 iterations. iteration 653: trace = 2.451795694359498 (2.79654e-06% change) linmin: converged after 7 iterations. iteration 654: trace = 2.451795679189858 (6.18715e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451795652078035 (1.10579e-06% change) linmin: converged after 2 iterations. iteration 656: trace = 2.451795614356731 (1.53852e-06% change) linmin: converged after 3 iterations. iteration 657: trace = 2.451795601409095 (5.28088e-07% change) large trace change predicted (1.62817e-06%) linmin: converged after 14 iterations. iteration 658: trace = 2.451795561490937 (1.62812e-06% change) linmin: converged after 3 iterations. iteration 659: trace = 2.451795525021622 (1.48745e-06% change) linmin: converged after 3 iterations. iteration 660: trace = 2.451795489010218 (1.46878e-06% change) linmin: converged after 3 iterations. iteration 661: trace = 2.451795446557308 (1.7315e-06% change) linmin: converged after 4 iterations. iteration 662: trace = 2.451795378701689 (2.76759e-06% change) linmin: converged after 2 iterations. iteration 663: trace = 2.451795332674191 (1.8773e-06% change) linmin: converged after 3 iterations. iteration 664: trace = 2.451795304658081 (1.14268e-06% change) large trace change predicted (3.75852e-06%) linmin: converged after 3 iterations. iteration 665: trace = 2.451795212514485 (3.75821e-06% change) linmin: converged after 4 iterations. iteration 666: trace = 2.451795109045519 (4.22013e-06% change) linmin: converged after 4 iterations. iteration 667: trace = 2.451795032777623 (3.1107e-06% change) large trace change predicted (6.72789e-06%) linmin: converged after 4 iterations. iteration 668: trace = 2.451794867863915 (6.72624e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451794786047492 (3.337e-06% change) linmin: converged after 8 iterations. iteration 670: trace = 2.45179474998828 (1.47073e-06% change) large trace change predicted (3.10048e-06%) linmin: converged after 3 iterations. iteration 671: trace = 2.451794673976095 (3.10027e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451794643045971 (1.26153e-06% change) linmin: converged after 9 iterations. iteration 673: trace = 2.451794611492194 (1.28697e-06% change) linmin: converged after 3 iterations. iteration 674: trace = 2.451794575616612 (1.46324e-06% change) linmin: converged after 3 iterations. iteration 675: trace = 2.451794551019268 (1.00324e-06% change) linmin: converged after 3 iterations. iteration 676: trace = 2.451794525567594 (1.03808e-06% change) linmin: converged after 2 iterations. iteration 677: trace = 2.451794484259911 (1.68479e-06% change) linmin: converged after 3 iterations. iteration 678: trace = 2.451794465439304 (7.67626e-07% change) linmin: converged after 2 iterations. iteration 679: trace = 2.451794441689419 (9.68674e-07% change) large trace change predicted (2.12096e-06%) linmin: converged after 10 iterations. iteration 680: trace = 2.451794389684241 (2.12111e-06% change) linmin: converged after 5 iterations. iteration 681: trace = 2.451794339893744 (2.03078e-06% change) linmin: converged after 2 iterations. iteration 682: trace = 2.451794300624531 (1.60165e-06% change) linmin: converged after 9 iterations. iteration 683: trace = 2.451794226838883 (3.00946e-06% change) linmin: converged after 8 iterations. iteration 684: trace = 2.451794167977489 (2.40075e-06% change) linmin: converged after 15 iterations. iteration 685: trace = 2.451794103254784 (2.63981e-06% change) linmin: converged after 5 iterations. iteration 686: trace = 2.451793977878935 (5.11364e-06% change) linmin: converged after 3 iterations. iteration 687: trace = 2.451793915001661 (2.56454e-06% change) linmin: converged after 3 iterations. iteration 688: trace = 2.451793865014137 (2.03881e-06% change) large trace change predicted (4.60706e-06%) linmin: converged after 4 iterations. iteration 689: trace = 2.451793752034144 (4.60805e-06% change) linmin: converged after 19 iterations. iteration 690: trace = 2.451793694903404 (2.33016e-06% change) linmin: converged after 3 iterations. iteration 691: trace = 2.451793669183912 (1.04901e-06% change) large trace change predicted (2.3146e-06%) linmin: converged after 7 iterations. iteration 692: trace = 2.45179361243056 (2.31477e-06% change) linmin: converged after 2 iterations. iteration 693: trace = 2.451793589523652 (9.34292e-07% change) linmin: converged after 5 iterations. iteration 694: trace = 2.451793569955823 (7.98103e-07% change) linmin: converged after 5 iterations. iteration 695: trace = 2.451793536359764 (1.37026e-06% change) linmin: converged after 2 iterations. iteration 696: trace = 2.451793506484098 (1.21852e-06% change) linmin: converged after 2 iterations. iteration 697: trace = 2.451793478591088 (1.13766e-06% change) large trace change predicted (3.53897e-06%) linmin: converged after 2 iterations. iteration 698: trace = 2.451793391821098 (3.53904e-06% change) large trace change predicted (1.01962e-05%) linmin: converged after 4 iterations. iteration 699: trace = 2.451793141803856 (1.01973e-05% change) resetting CG direction... linmin: converged after 16 iterations. iteration 700: trace = 2.451792977748925 (6.69122e-06% change) linmin: converged after 2 iterations. iteration 701: trace = 2.451792928859038 (1.99405e-06% change) linmin: converged after 3 iterations. iteration 702: trace = 2.451792899495146 (1.19765e-06% change) linmin: converged after 3 iterations. iteration 703: trace = 2.451792864916433 (1.41034e-06% change) linmin: converged after 22 iterations. iteration 704: trace = 2.451792821622462 (1.76581e-06% change) linmin: converged after 2 iterations. iteration 705: trace = 2.451792800663756 (8.54832e-07% change) linmin: converged after 16 iterations. iteration 706: trace = 2.451792773877206 (1.09253e-06% change) large trace change predicted (2.27129e-06%) linmin: converged after 3 iterations. iteration 707: trace = 2.451792718193856 (2.27113e-06% change) linmin: converged after 3 iterations. iteration 708: trace = 2.451792704625751 (5.53395e-07% change) large trace change predicted (1.73335e-06%) linmin: converged after 4 iterations. iteration 709: trace = 2.451792662128703 (1.73331e-06% change) linmin: converged after 7 iterations. iteration 710: trace = 2.45179262361673 (1.57077e-06% change) linmin: converged after 7 iterations. iteration 711: trace = 2.451792604638099 (7.74072e-07% change) linmin: converged after 3 iterations. iteration 712: trace = 2.451792580727469 (9.75231e-07% change) linmin: converged after 4 iterations. iteration 713: trace = 2.451792536225384 (1.81508e-06% change) linmin: converged after 20 iterations. iteration 714: trace = 2.451792524784081 (4.66651e-07% change) large trace change predicted (2.51204e-06%) linmin: converged after 4 iterations. iteration 715: trace = 2.451792463200188 (2.51179e-06% change) linmin: converged after 10 iterations. iteration 716: trace = 2.451792409476526 (2.1912e-06% change) linmin: converged after 13 iterations. iteration 717: trace = 2.451792374340449 (1.43308e-06% change) large trace change predicted (3.69312e-06%) linmin: converged after 7 iterations. iteration 718: trace = 2.451792283814264 (3.69225e-06% change) linmin: converged after 9 iterations. iteration 719: trace = 2.451792230170596 (2.18794e-06% change) linmin: converged after 6 iterations. iteration 720: trace = 2.451792213085378 (6.96846e-07% change) linmin: converged after 3 iterations. iteration 721: trace = 2.451792193444193 (8.01095e-07% change) linmin: converged after 3 iterations. iteration 722: trace = 2.451792165983695 (1.12002e-06% change) linmin: converged after 22 iterations. iteration 723: trace = 2.451792161339316 (1.89428e-07% change) large trace change predicted (8.7232e-07%) linmin: converged after 5 iterations. iteration 724: trace = 2.451792139951396 (8.72338e-07% change) linmin: converged after 15 iterations. iteration 725: trace = 2.451792131269845 (3.5409e-07% change) linmin: converged after 9 iterations. iteration 726: trace = 2.451792123899818 (3.00598e-07% change) large trace change predicted (6.62622e-07%) linmin: converged after 3 iterations. iteration 727: trace = 2.451792107653467 (6.62632e-07% change) linmin: converged after 4 iterations. iteration 728: trace = 2.451792085977642 (8.84081e-07% change) linmin: converged after 3 iterations. iteration 729: trace = 2.451792072900323 (5.33378e-07% change) large trace change predicted (1.66807e-06%) linmin: converged after 9 iterations. iteration 730: trace = 2.45179203199882 (1.66823e-06% change) linmin: converged after 4 iterations. iteration 731: trace = 2.451791967380792 (2.63554e-06% change) linmin: converged after 4 iterations. iteration 732: trace = 2.451791936882944 (1.2439e-06% change) linmin: converged after 4 iterations. iteration 733: trace = 2.451791899625051 (1.51962e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791855668688 (1.79283e-06% change) linmin: converged after 3 iterations. iteration 735: trace = 2.451791833794059 (8.92189e-07% change) linmin: converged after 3 iterations. iteration 736: trace = 2.451791801372802 (1.32235e-06% change) linmin: converged after 3 iterations. iteration 737: trace = 2.451791755953134 (1.85251e-06% change) linmin: converged after 8 iterations. iteration 738: trace = 2.451791748534163 (3.02594e-07% change) large trace change predicted (1.26539e-06%) linmin: converged after 4 iterations. iteration 739: trace = 2.451791717508533 (1.26543e-06% change) linmin: converged after 4 iterations. iteration 740: trace = 2.451791706261756 (4.58717e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.451791697815918 (3.44476e-07% change) linmin: converged after 2 iterations. iteration 742: trace = 2.451791683041008 (6.02617e-07% change) linmin: converged after 2 iterations. iteration 743: trace = 2.451791674802513 (3.36019e-07% change) linmin: converged after 7 iterations. iteration 744: trace = 2.451791669993076 (1.9616e-07% change) large trace change predicted (3.98765e-07%) linmin: converged after 3 iterations. iteration 745: trace = 2.45179166021639 (3.98757e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.451791643965552 (6.62815e-07% change) linmin: converged after 5 iterations. iteration 747: trace = 2.451791634071259 (4.03554e-07% change) large trace change predicted (1.47688e-06%) linmin: converged after 4 iterations. iteration 748: trace = 2.451791597862115 (1.47684e-06% change) linmin: converged after 3 iterations. iteration 749: trace = 2.451791575015971 (9.31814e-07% change) linmin: converged after 3 iterations. iteration 750: trace = 2.451791563093447 (4.86278e-07% change) large trace change predicted (1.60201e-06%) linmin: converged after 8 iterations. iteration 751: trace = 2.451791523816258 (1.60198e-06% change) linmin: converged after 2 iterations. iteration 752: trace = 2.451791494500097 (1.1957e-06% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791483864161 (4.33803e-07% change) large trace change predicted (1.07371e-06%) linmin: converged after 2 iterations. iteration 754: trace = 2.4517914575386 (1.07373e-06% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451791439105821 (7.51809e-07% change) linmin: converged after 3 iterations. iteration 756: trace = 2.451791426754609 (5.03763e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.451791404238453 (9.18355e-07% change) linmin: converged after 3 iterations. iteration 758: trace = 2.451791387592427 (6.78933e-07% change) linmin: converged after 3 iterations. iteration 759: trace = 2.451791379538175 (3.28505e-07% change) large trace change predicted (6.75578e-07%) linmin: converged after 6 iterations. iteration 760: trace = 2.451791362974472 (6.75576e-07% change) linmin: converged after 4 iterations. iteration 761: trace = 2.451791348659821 (5.83845e-07% change) linmin: converged after 3 iterations. iteration 762: trace = 2.451791345208663 (1.40761e-07% change) large trace change predicted (4.13436e-07%) linmin: converged after 14 iterations. iteration 763: trace = 2.451791335072152 (4.13433e-07% change) linmin: converged after 4 iterations. iteration 764: trace = 2.451791330011771 (2.06395e-07% change) linmin: converged after 16 iterations. iteration 765: trace = 2.451791327227634 (1.13555e-07% change) large trace change predicted (5.20276e-07%) linmin: converged after 4 iterations. iteration 766: trace = 2.451791314471515 (5.20278e-07% change) linmin: converged after 3 iterations. iteration 767: trace = 2.451791304515406 (4.06075e-07% change) linmin: converged after 2 iterations. iteration 768: trace = 2.451791298825253 (2.32081e-07% change) large trace change predicted (6.35262e-07%) linmin: converged after 2 iterations. iteration 769: trace = 2.451791283249723 (6.35271e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 770: trace = 2.451791269457923 (5.62519e-07% change) linmin: converged after 5 iterations. iteration 771: trace = 2.451791265472151 (1.62566e-07% change) large trace change predicted (4.29326e-07%) linmin: converged after 9 iterations. iteration 772: trace = 2.451791254945988 (4.29325e-07% change) linmin: converged after 3 iterations. iteration 773: trace = 2.451791243757865 (4.56324e-07% change) linmin: converged after 14 iterations. iteration 774: trace = 2.451791240409478 (1.36569e-07% change) linmin: converged after 2 iterations. iteration 775: trace = 2.451791234557508 (2.38681e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451791226279016 (3.37651e-07% change) linmin: converged after 4 iterations. iteration 777: trace = 2.451791222951205 (1.3573e-07% change) large trace change predicted (5.32188e-07%) linmin: converged after 14 iterations. iteration 778: trace = 2.451791209902853 (5.32197e-07% change) linmin: converged after 19 iterations. iteration 779: trace = 2.451791204475767 (2.21352e-07% change) large trace change predicted (6.23177e-07%) linmin: converged after 2 iterations. iteration 780: trace = 2.451791189196708 (6.23179e-07% change) linmin: converged after 4 iterations. iteration 781: trace = 2.451791174891503 (5.83459e-07% change) linmin: converged after 2 iterations. iteration 782: trace = 2.451791161255764 (5.56154e-07% change) linmin: converged after 8 iterations. iteration 783: trace = 2.451791152251497 (3.67253e-07% change) large trace change predicted (8.21915e-07%) linmin: converged after 2 iterations. iteration 784: trace = 2.451791132099201 (8.21942e-07% change) linmin: converged after 3 iterations. iteration 785: trace = 2.451791122276556 (4.00631e-07% change) linmin: converged after 2 iterations. iteration 786: trace = 2.451791106541954 (6.4176e-07% change) linmin: converged after 16 iterations. iteration 787: trace = 2.451791079737868 (1.09325e-06% change) linmin: converged after 2 iterations. iteration 788: trace = 2.451791053153412 (1.08429e-06% change) linmin: converged after 2 iterations. iteration 789: trace = 2.451791041642322 (4.69497e-07% change) linmin: converged after 2 iterations. iteration 790: trace = 2.451791022611706 (7.76192e-07% change) linmin: converged after 3 iterations. iteration 791: trace = 2.451790999535885 (9.41182e-07% change) linmin: converged after 3 iterations. iteration 792: trace = 2.45179099567904 (1.57307e-07% change) large trace change predicted (6.64111e-07%) linmin: converged after 5 iterations. iteration 793: trace = 2.451790979396012 (6.64128e-07% change) linmin: converged after 7 iterations. iteration 794: trace = 2.451790974549247 (1.97683e-07% change) linmin: converged after 3 iterations. iteration 795: trace = 2.451790969136582 (2.20764e-07% change) linmin: converged after 13 iterations. iteration 796: trace = 2.451790962241654 (2.8122e-07% change) linmin: converged after 13 iterations. iteration 797: trace = 2.451790958912618 (1.3578e-07% change) large trace change predicted (3.96648e-07%) linmin: converged after 16 iterations. iteration 798: trace = 2.451790949187528 (3.96652e-07% change) linmin: converged after 4 iterations. iteration 799: trace = 2.451790940874147 (3.39074e-07% change) linmin: converged after 3 iterations. iteration 800: trace = 2.451790931433119 (3.85067e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.451790918870375 (5.12391e-07% change) large trace change predicted (1.19817e-06%) linmin: converged after 10 iterations. iteration 802: trace = 2.451790889495537 (1.1981e-06% change) linmin: converged after 11 iterations. iteration 803: trace = 2.45179086462289 (1.01447e-06% change) linmin: converged after 4 iterations. iteration 804: trace = 2.451790852723179 (4.85348e-07% change) linmin: converged after 4 iterations. iteration 805: trace = 2.45179083545089 (7.04476e-07% change) linmin: converged after 11 iterations. iteration 806: trace = 2.451790804292777 (1.27083e-06% change) linmin: converged after 10 iterations. iteration 807: trace = 2.451790793039542 (4.5898e-07% change) large trace change predicted (1.31131e-06%) linmin: converged after 7 iterations. iteration 808: trace = 2.451790760892004 (1.31119e-06% change) linmin: converged after 5 iterations. iteration 809: trace = 2.451790739168159 (8.8604e-07% change) linmin: converged after 8 iterations. iteration 810: trace = 2.451790731262117 (3.2246e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790721511851 (3.97679e-07% change) linmin: converged after 3 iterations. iteration 812: trace = 2.451790713569052 (3.23959e-07% change) linmin: converged after 7 iterations. iteration 813: trace = 2.451790710588891 (1.2155e-07% change) linmin: converged after 8 iterations. iteration 814: trace = 2.451790706164299 (1.80464e-07% change) linmin: converged after 4 iterations. iteration 815: trace = 2.451790697445935 (3.55592e-07% change) linmin: converged after 10 iterations. iteration 816: trace = 2.451790695250396 (8.95484e-08% change) large trace change predicted (5.56189e-07%) linmin: converged after 8 iterations. iteration 817: trace = 2.451790681613432 (5.56204e-07% change) linmin: converged after 2 iterations. iteration 818: trace = 2.451790673256554 (3.40848e-07% change) linmin: converged after 4 iterations. iteration 819: trace = 2.451790664999535 (3.36775e-07% change) large trace change predicted (8.96278e-07%) linmin: converged after 4 iterations. iteration 820: trace = 2.451790643023452 (8.96328e-07% change) linmin: converged after 4 iterations. iteration 821: trace = 2.451790606402006 (1.49366e-06% change) linmin: converged after 4 iterations. iteration 822: trace = 2.451790585329558 (8.59472e-07% change) linmin: converged after 5 iterations. iteration 823: trace = 2.451790571433385 (5.66776e-07% change) linmin: converged after 4 iterations. iteration 824: trace = 2.451790545985404 (1.03793e-06% change) linmin: converged after 3 iterations. iteration 825: trace = 2.45179053884524 (2.91222e-07% change) linmin: converged after 5 iterations. iteration 826: trace = 2.45179052559069 (5.40607e-07% change) linmin: converged after 4 iterations. iteration 827: trace = 2.451790512650106 (5.27801e-07% change) linmin: converged after 4 iterations. iteration 828: trace = 2.451790507916988 (1.93047e-07% change) large trace change predicted (5.81996e-07%) linmin: converged after 8 iterations. iteration 829: trace = 2.451790493647074 (5.8202e-07% change) linmin: converged after 3 iterations. iteration 830: trace = 2.451790480431849 (5.39003e-07% change) linmin: converged after 4 iterations. iteration 831: trace = 2.45179047512628 (2.16396e-07% change) large trace change predicted (5.65027e-07%) linmin: converged after 13 iterations. iteration 832: trace = 2.451790461272208 (5.65059e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.451790449641078 (4.74393e-07% change) linmin: converged after 4 iterations. iteration 834: trace = 2.451790445261989 (1.78608e-07% change) large trace change predicted (5.24294e-07%) linmin: converged after 5 iterations. iteration 835: trace = 2.451790432407028 (5.24309e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.451790417784337 (5.96409e-07% change) linmin: converged after 2 iterations. iteration 837: trace = 2.45179041310108 (1.91014e-07% change) large trace change predicted (8.4939e-07%) linmin: converged after 17 iterations. iteration 838: trace = 2.451790392274921 (8.49427e-07% change) large trace change predicted (4.88279e-06%) linmin: converged after 2 iterations. iteration 839: trace = 2.451790272559158 (4.88279e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 840: trace = 2.451790213555808 (2.40654e-06% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451790192204887 (8.7083e-07% change) linmin: converged after 2 iterations. iteration 842: trace = 2.451790175626938 (6.76157e-07% change) linmin: converged after 17 iterations. iteration 843: trace = 2.451790159669605 (6.50844e-07% change) linmin: converged after 4 iterations. iteration 844: trace = 2.451790145941052 (5.5994e-07% change) linmin: converged after 21 iterations. iteration 845: trace = 2.451790141520745 (1.80289e-07% change) linmin: converged after 3 iterations. iteration 846: trace = 2.451790133353962 (3.33095e-07% change) linmin: converged after 10 iterations. iteration 847: trace = 2.451790121480497 (4.84277e-07% change) linmin: converged after 25 iterations. iteration 848: trace = 2.451790119025651 (1.00125e-07% change) large trace change predicted (3.30352e-07%) linmin: converged after 7 iterations. iteration 849: trace = 2.451790110926181 (3.30349e-07% change) linmin: converged after 6 iterations. iteration 850: trace = 2.45179010478407 (2.50515e-07% change) linmin: converged after 3 iterations. iteration 851: trace = 2.451790102797241 (8.10359e-08% change) large trace change predicted (2.59661e-07%) linmin: converged after 15 iterations. iteration 852: trace = 2.451790096430975 (2.59658e-07% change) linmin: converged after 4 iterations. iteration 853: trace = 2.45179008734964 (3.70396e-07% change) linmin: converged after 5 iterations. iteration 854: trace = 2.451790084269267 (1.25638e-07% change) large trace change predicted (4.2196e-07%) linmin: converged after 5 iterations. iteration 855: trace = 2.451790073924069 (4.21945e-07% change) linmin: converged after 4 iterations. iteration 856: trace = 2.451790064937795 (3.66519e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451790060447726 (1.83134e-07% change) large trace change predicted (6.18921e-07%) linmin: converged after 6 iterations. iteration 858: trace = 2.451790045274494 (6.18863e-07% change) linmin: converged after 18 iterations. iteration 859: trace = 2.45179003191148 (5.45031e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451790026189407 (2.33383e-07% change) linmin: converged after 9 iterations. iteration 861: trace = 2.451790017707199 (3.4596e-07% change) linmin: converged after 3 iterations. iteration 862: trace = 2.451790006945255 (4.38942e-07% change) linmin: converged after 8 iterations. iteration 863: trace = 2.451790004767142 (8.88377e-08% change) large trace change predicted (2.03153e-07%) linmin: converged after 2 iterations. iteration 864: trace = 2.451789999786256 (2.03153e-07% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789994541166 (2.13929e-07% change) linmin: converged after 6 iterations. iteration 866: trace = 2.451789992483156 (8.39391e-08% change) large trace change predicted (1.98533e-07%) linmin: converged after 6 iterations. iteration 867: trace = 2.45178998761549 (1.98535e-07% change) linmin: converged after 16 iterations. iteration 868: trace = 2.451789983636903 (1.62273e-07% change) linmin: converged after 17 iterations. iteration 869: trace = 2.451789982433866 (4.90677e-08% change) large trace change predicted (1.47373e-07%) linmin: converged after 4 iterations. iteration 870: trace = 2.451789978820515 (1.47376e-07% change) linmin: converged after 6 iterations. iteration 871: trace = 2.451789975011049 (1.55375e-07% change) linmin: converged after 21 iterations. iteration 872: trace = 2.451789972529373 (1.01219e-07% change) large trace change predicted (3.03945e-07%) linmin: converged after 20 iterations. iteration 873: trace = 2.451789965076924 (3.0396e-07% change) linmin: converged after 22 iterations. iteration 874: trace = 2.451789957051352 (3.27335e-07% change) linmin: converged after 19 iterations. iteration 875: trace = 2.451789953342421 (1.51274e-07% change) large trace change predicted (4.7875e-07%) linmin: converged after 3 iterations. iteration 876: trace = 2.45178994160367 (4.78783e-07% change) linmin: converged after 4 iterations. iteration 877: trace = 2.451789921263693 (8.29597e-07% change) linmin: converged after 4 iterations. iteration 878: trace = 2.451789917226355 (1.64669e-07% change) large trace change predicted (4.46419e-07%) linmin: converged after 3 iterations. iteration 879: trace = 2.451789906280298 (4.46452e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.451789902803544 (1.41805e-07% change) linmin: converged after 4 iterations. iteration 881: trace = 2.451789900982884 (7.42584e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.451789898996018 (8.10374e-08% change) linmin: converged after 2 iterations. iteration 883: trace = 2.451789896087048 (1.18647e-07% change) linmin: converged after 31 iterations. iteration 884: trace = 2.451789894557761 (6.23743e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.45178989284542 (6.98405e-08% change) large trace change predicted (1.7421e-07%) linmin: converged after 13 iterations. iteration 886: trace = 2.451789888574215 (1.74208e-07% change) linmin: converged after 6 iterations. iteration 887: trace = 2.451789887471806 (4.49634e-08% change) large trace change predicted (1.7401e-07%) linmin: converged after 3 iterations. iteration 888: trace = 2.451789883205477 (1.74009e-07% change) linmin: converged after 4 iterations. iteration 889: trace = 2.451789880368771 (1.15699e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.451789878627452 (7.10223e-08% change) large trace change predicted (2.95417e-07%) linmin: converged after 7 iterations. iteration 891: trace = 2.4517898713845 (2.95415e-07% change) linmin: converged after 3 iterations. iteration 892: trace = 2.451789864184501 (2.93663e-07% change) linmin: converged after 2 iterations. iteration 893: trace = 2.451789862021963 (8.82024e-08% change) large trace change predicted (2.20834e-07%) linmin: converged after 18 iterations. iteration 894: trace = 2.451789856607579 (2.20834e-07% change) linmin: converged after 4 iterations. iteration 895: trace = 2.451789850466517 (2.50473e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.45178984565164 (1.96382e-07% change) linmin: converged after 3 iterations. iteration 897: trace = 2.451789841311077 (1.77037e-07% change) linmin: converged after 2 iterations. iteration 898: trace = 2.45178983585274 (2.22627e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.451789832807781 (1.24193e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789830884917 (7.8427e-08% change) linmin: converged after 3 iterations. iteration 901: trace = 2.4517898276143 (1.33397e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.451789826636091 (3.98978e-08% change) linmin: converged after 27 iterations. iteration 903: trace = 2.451789825699241 (3.82109e-08% change) large trace change predicted (8.74045e-08%) linmin: converged after 2 iterations. iteration 904: trace = 2.451789823556259 (8.74048e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.451789822250685 (5.32498e-08% change) linmin: converged after 3 iterations. iteration 906: trace = 2.451789820325462 (7.85232e-08% change) linmin: converged after 20 iterations. iteration 907: trace = 2.451789817890423 (9.93168e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.451789817029084 (3.5131e-08% change) large trace change predicted (9.86693e-08%) linmin: converged after 4 iterations. iteration 909: trace = 2.451789814609935 (9.86687e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 910: trace = 2.451789813034542 (6.42548e-08% change) linmin: converged after 4 iterations. iteration 911: trace = 2.451789812503173 (2.16727e-08% change) large trace change predicted (6.10544e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.451789811006251 (6.10542e-08% change) linmin: converged after 3 iterations. iteration 913: trace = 2.451789809317497 (6.88784e-08% change) linmin: converged after 3 iterations. iteration 914: trace = 2.451789808401158 (3.73743e-08% change) large trace change predicted (8.98535e-08%) linmin: converged after 10 iterations. iteration 915: trace = 2.451789806198131 (8.98539e-08% change) linmin: converged after 3 iterations. iteration 916: trace = 2.45178980435599 (7.51345e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.451789803222406 (4.6235e-08% change) large trace change predicted (1.23187e-07%) linmin: converged after 7 iterations. iteration 918: trace = 2.451789800202082 (1.23189e-07% change) linmin: converged after 4 iterations. iteration 919: trace = 2.45178979885738 (5.48458e-08% change) linmin: converged after 7 iterations. iteration 920: trace = 2.451789796733441 (8.66281e-08% change) linmin: converged after 2 iterations. iteration 921: trace = 2.451789793834502 (1.18238e-07% change) linmin: converged after 4 iterations. iteration 922: trace = 2.451789791442077 (9.75787e-08% change) linmin: converged after 7 iterations. iteration 923: trace = 2.451789788565093 (1.17342e-07% change) linmin: converged after 3 iterations. iteration 924: trace = 2.45178978387008 (1.91493e-07% change) linmin: converged after 3 iterations. iteration 925: trace = 2.451789781334442 (1.0342e-07% change) linmin: converged after 3 iterations. iteration 926: trace = 2.451789776355191 (2.03086e-07% change) linmin: converged after 6 iterations. iteration 927: trace = 2.45178976982222 (2.66457e-07% change) linmin: converged after 2 iterations. iteration 928: trace = 2.451789765729606 (1.66924e-07% change) linmin: converged after 3 iterations. iteration 929: trace = 2.451789763381639 (9.57654e-08% change) linmin: converged after 7 iterations. iteration 930: trace = 2.451789759968683 (1.39203e-07% change) linmin: converged after 10 iterations. iteration 931: trace = 2.451789756062335 (1.59326e-07% change) linmin: converged after 4 iterations. iteration 932: trace = 2.451789755375749 (2.80035e-08% change) large trace change predicted (1.26988e-07%) linmin: converged after 4 iterations. iteration 933: trace = 2.45178975226222 (1.2699e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789751229188 (4.21338e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.451789750347844 (3.59469e-08% change) large trace change predicted (9.45394e-08%) linmin: converged after 5 iterations. iteration 936: trace = 2.451789748029905 (9.45407e-08% change) linmin: converged after 10 iterations. iteration 937: trace = 2.451789746828241 (4.90117e-08% change) linmin: converged after 16 iterations. iteration 938: trace = 2.451789745751053 (4.39348e-08% change) large trace change predicted (1.01173e-07%) linmin: converged after 11 iterations. iteration 939: trace = 2.451789743270557 (1.01171e-07% change) linmin: converged after 10 iterations. iteration 940: trace = 2.451789740212183 (1.2474e-07% change) linmin: converged after 12 iterations. iteration 941: trace = 2.451789737710221 (1.02046e-07% change) linmin: converged after 16 iterations. iteration 942: trace = 2.45178973296632 (1.93487e-07% change) linmin: converged after 13 iterations. iteration 943: trace = 2.451789728494754 (1.8238e-07% change) linmin: converged after 2 iterations. iteration 944: trace = 2.451789726644223 (7.54767e-08% change) large trace change predicted (3.05432e-07%) linmin: converged after 3 iterations. iteration 945: trace = 2.451789719156081 (3.05415e-07% change) linmin: converged after 6 iterations. iteration 946: trace = 2.451789709670078 (3.86901e-07% change) linmin: converged after 3 iterations. iteration 947: trace = 2.451789707910802 (7.17548e-08% change) large trace change predicted (1.98354e-07%) linmin: converged after 22 iterations. iteration 948: trace = 2.451789703047772 (1.98346e-07% change) linmin: converged after 5 iterations. iteration 949: trace = 2.451789699404639 (1.48591e-07% change) linmin: converged after 4 iterations. iteration 950: trace = 2.451789698505567 (3.667e-08% change) large trace change predicted (7.52187e-08%) linmin: converged after 4 iterations. iteration 951: trace = 2.451789696661383 (7.52179e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.451789695747109 (3.72901e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.451789695177785 (2.32207e-08% change) large trace change predicted (4.87717e-08%) linmin: converged after 3 iterations. iteration 954: trace = 2.451789693982008 (4.87716e-08% change) large trace change predicted (1.1394e-07%) linmin: converged after 16 iterations. iteration 955: trace = 2.451789691188385 (1.13942e-07% change) linmin: converged after 3 iterations. iteration 956: trace = 2.451789690145684 (4.25281e-08% change) large trace change predicted (2.09945e-07%) linmin: converged after 5 iterations. iteration 957: trace = 2.45178968499807 (2.09953e-07% change) linmin: converged after 2 iterations. iteration 958: trace = 2.451789681525844 (1.4162e-07% change) linmin: converged after 4 iterations. iteration 959: trace = 2.451789679229162 (9.36737e-08% change) large trace change predicted (2.0338e-07%) linmin: converged after 5 iterations. iteration 960: trace = 2.451789674242533 (2.03387e-07% change) linmin: converged after 3 iterations. iteration 961: trace = 2.451789669295464 (2.01774e-07% change) linmin: converged after 4 iterations. iteration 962: trace = 2.451789667311249 (8.09293e-08% change) large trace change predicted (1.72651e-07%) linmin: converged after 18 iterations. iteration 963: trace = 2.451789663078129 (1.72654e-07% change) linmin: converged after 10 iterations. iteration 964: trace = 2.451789658405811 (1.90568e-07% change) linmin: converged after 13 iterations. iteration 965: trace = 2.451789657170975 (5.03647e-08% change) large trace change predicted (1.22904e-07%) linmin: converged after 5 iterations. iteration 966: trace = 2.451789654157552 (1.22907e-07% change) linmin: converged after 13 iterations. iteration 967: trace = 2.451789651688258 (1.00714e-07% change) linmin: converged after 4 iterations. iteration 968: trace = 2.451789650363576 (5.40292e-08% change) linmin: converged after 16 iterations. iteration 969: trace = 2.451789648112695 (9.18056e-08% change) linmin: converged after 10 iterations. iteration 970: trace = 2.451789644823145 (1.34169e-07% change) linmin: converged after 3 iterations. iteration 971: trace = 2.451789644054264 (3.136e-08% change) large trace change predicted (1.06679e-07%) linmin: converged after 4 iterations. iteration 972: trace = 2.451789641438705 (1.0668e-07% change) linmin: converged after 2 iterations. iteration 973: trace = 2.451789639194162 (9.15471e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.451789637693573 (6.12038e-08% change) linmin: converged after 7 iterations. iteration 975: trace = 2.451789634982918 (1.10558e-07% change) large trace change predicted (2.52345e-07%) linmin: converged after 4 iterations. iteration 976: trace = 2.451789628795894 (2.52347e-07% change) linmin: converged after 4 iterations. iteration 977: trace = 2.451789625464878 (1.35861e-07% change) linmin: converged after 2 iterations. iteration 978: trace = 2.451789621995401 (1.41508e-07% change) large trace change predicted (1.49643e-06%) linmin: converged after 2 iterations. iteration 979: trace = 2.451789585306018 (1.49643e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.451789580514492 (1.9543e-07% change) large trace change predicted (5.3974e-07%) linmin: converged after 10 iterations. iteration 981: trace = 2.4517895672813 (5.39736e-07% change) linmin: converged after 4 iterations. iteration 982: trace = 2.451789563333854 (1.61003e-07% change) linmin: converged after 11 iterations. iteration 983: trace = 2.451789561267543 (8.42777e-08% change) large trace change predicted (3.30334e-07%) linmin: converged after 3 iterations. iteration 984: trace = 2.451789553168358 (3.30338e-07% change) linmin: converged after 11 iterations. iteration 985: trace = 2.451789550481771 (1.09577e-07% change) linmin: converged after 9 iterations. iteration 986: trace = 2.451789547203258 (1.33719e-07% change) linmin: converged after 3 iterations. iteration 987: trace = 2.451789545172841 (8.28137e-08% change) linmin: converged after 7 iterations. iteration 988: trace = 2.451789544747299 (1.73564e-08% change) large trace change predicted (4.39789e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.451789543669034 (4.39787e-08% change) linmin: converged after 2 iterations. iteration 990: trace = 2.451789542686221 (4.00855e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789542409551 (1.12844e-08% change) large trace change predicted (3.92181e-08%) linmin: converged after 4 iterations. iteration 992: trace = 2.451789541448014 (3.92178e-08% change) linmin: converged after 3 iterations. iteration 993: trace = 2.45178953994583 (6.12689e-08% change) linmin: converged after 4 iterations. iteration 994: trace = 2.45178953940219 (2.21732e-08% change) large trace change predicted (9.89183e-08%) linmin: converged after 19 iterations. iteration 995: trace = 2.451789536976986 (9.89157e-08% change) linmin: converged after 3 iterations. iteration 996: trace = 2.451789534833758 (8.74149e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.451789533908023 (3.77575e-08% change) linmin: converged after 5 iterations. iteration 998: trace = 2.451789533045841 (3.51654e-08% change) large trace change predicted (8.43133e-08%) linmin: converged after 4 iterations. iteration 999: trace = 2.451789530978686 (8.43121e-08% change) linmin: converged after 16 iterations. iteration 1000: trace = 2.451789529286669 (6.90115e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.451789527599998 (6.87935e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.451789525734732 (7.60777e-08% change) linmin: converged after 2 iterations. iteration 1003: trace = 2.451789524755521 (3.99387e-08% change) linmin: converged after 13 iterations. iteration 1004: trace = 2.451789522838808 (7.81761e-08% change) linmin: converged after 19 iterations. iteration 1005: trace = 2.451789521743089 (4.46906e-08% change) linmin: converged after 6 iterations. iteration 1006: trace = 2.451789521387273 (1.45125e-08% change) linmin: converged after 4 iterations. iteration 1007: trace = 2.451789520861671 (2.14375e-08% change) linmin: converged after 7 iterations. iteration 1008: trace = 2.451789520247847 (2.50358e-08% change) linmin: converged after 4 iterations. iteration 1009: trace = 2.451789520134888 (4.60721e-09% change) large trace change predicted (3.11782e-08%) linmin: converged after 2 iterations. iteration 1010: trace = 2.45178951937046 (3.11784e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.451789518477665 (3.6414e-08% change) linmin: converged after 21 iterations. iteration 1012: trace = 2.45178951802627 (1.84108e-08% change) linmin: converged after 7 iterations. iteration 1013: trace = 2.451789517187235 (3.42213e-08% change) large trace change predicted (7.44962e-08%) linmin: converged after 3 iterations. iteration 1014: trace = 2.451789515360688 (7.44985e-08% change) linmin: converged after 7 iterations. iteration 1015: trace = 2.45178951354683 (7.3981e-08% change) linmin: converged after 5 iterations. iteration 1016: trace = 2.451789512701672 (3.44711e-08% change) large trace change predicted (1.08142e-07%) linmin: converged after 6 iterations. iteration 1017: trace = 2.45178951005014 (1.08147e-07% change) linmin: converged after 10 iterations. iteration 1018: trace = 2.451789508203737 (7.53084e-08% change) linmin: converged after 3 iterations. iteration 1019: trace = 2.451789507724227 (1.95575e-08% change) large trace change predicted (5.38465e-08%) linmin: converged after 4 iterations. iteration 1020: trace = 2.451789506403992 (5.38478e-08% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.451789505883349 (2.12352e-08% change) linmin: converged after 3 iterations. iteration 1022: trace = 2.451789505588263 (1.20355e-08% change) large trace change predicted (3.43426e-08%) linmin: converged after 2 iterations. iteration 1023: trace = 2.451789504746249 (3.43428e-08% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.451789504462083 (1.15902e-08% change) large trace change predicted (2.62922e-08%) linmin: converged after 2 iterations. iteration 1025: trace = 2.451789503817453 (2.62922e-08% change) linmin: converged after 18 iterations. iteration 1026: trace = 2.451789503238346 (2.36197e-08% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.451789503037656 (8.18546e-09% change) linmin: converged after 25 iterations. iteration 1028: trace = 2.451789502709405 (1.33882e-08% change) large trace change predicted (2.82566e-08%) linmin: converged after 4 iterations. iteration 1029: trace = 2.451789502016614 (2.82566e-08% change) linmin: converged after 3 iterations. iteration 1030: trace = 2.451789501550039 (1.903e-08% change) linmin: converged after 13 iterations. iteration 1031: trace = 2.451789501128291 (1.72017e-08% change) large trace change predicted (4.58523e-08%) linmin: converged after 5 iterations. iteration 1032: trace = 2.451789500004094 (4.58521e-08% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.451789499215502 (3.21639e-08% change) linmin: converged after 4 iterations. iteration 1034: trace = 2.451789498248838 (3.94269e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.451789496697552 (6.32716e-08% change) linmin: converged after 6 iterations. iteration 1036: trace = 2.451789496272486 (1.7337e-08% change) linmin: converged after 2 iterations. iteration 1037: trace = 2.451789495435268 (3.41472e-08% change) linmin: converged after 4 iterations. iteration 1038: trace = 2.451789494554387 (3.59281e-08% change) linmin: converged after 26 iterations. iteration 1039: trace = 2.451789494294603 (1.05957e-08% change) large trace change predicted (3.9619e-08%) linmin: converged after 3 iterations. iteration 1040: trace = 2.451789493323243 (3.96184e-08% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789492873135 (1.83583e-08% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.451789492708766 (6.70406e-09% change) large trace change predicted (1.67157e-08%) linmin: converged after 3 iterations. iteration 1043: trace = 2.45178949229893 (1.67158e-08% change) linmin: converged after 5 iterations. iteration 1044: trace = 2.451789491890905 (1.66419e-08% change) linmin: converged after 12 iterations. iteration 1045: trace = 2.451789491606545 (1.15981e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.45178949146437 (5.79883e-09% change) large trace change predicted (2.04345e-08%) linmin: converged after 3 iterations. iteration 1047: trace = 2.451789490963363 (2.04343e-08% change) linmin: converged after 3 iterations. iteration 1048: trace = 2.451789490683595 (1.14108e-08% change) linmin: converged after 5 iterations. iteration 1049: trace = 2.451789490534894 (6.065e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1050: trace = 2.451789490426425 (4.42405e-09% change) linmin: converged after 5 iterations. iteration 1051: trace = 2.451789490285077 (5.76512e-09% change) linmin: converged after 10 iterations. iteration 1052: trace = 2.451789490092412 (7.85814e-09% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.451789489969701 (5.00495e-09% change) large trace change predicted (1.36945e-08%) linmin: converged after 3 iterations. iteration 1054: trace = 2.451789489633941 (1.36945e-08% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.451789489146975 (1.98616e-08% change) linmin: converged after 30 iterations. iteration 1056: trace = 2.451789489014712 (5.39455e-09% change) large trace change predicted (1.73291e-08%) linmin: converged after 6 iterations. iteration 1057: trace = 2.451789488589839 (1.73291e-08% change) linmin: converged after 4 iterations. iteration 1058: trace = 2.451789488155244 (1.77256e-08% change) linmin: converged after 22 iterations. iteration 1059: trace = 2.45178948783669 (1.29927e-08% change) linmin: converged after 2 iterations. iteration 1060: trace = 2.451789487461244 (1.53132e-08% change) linmin: converged after 9 iterations. iteration 1061: trace = 2.451789486918341 (2.21431e-08% change) linmin: converged after 3 iterations. iteration 1062: trace = 2.451789486619601 (1.21846e-08% change) large trace change predicted (2.45115e-08%) linmin: converged after 3 iterations. iteration 1063: trace = 2.451789486018625 (2.45117e-08% change) large trace change predicted (5.17689e-08%) linmin: converged after 13 iterations. iteration 1064: trace = 2.451789484749337 (5.17699e-08% change) linmin: converged after 18 iterations. iteration 1065: trace = 2.45178948442348 (1.32906e-08% change) large trace change predicted (4.39483e-08%) linmin: converged after 3 iterations. iteration 1066: trace = 2.451789483345948 (4.39488e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.451789482497461 (3.46069e-08% change) linmin: converged after 11 iterations. iteration 1068: trace = 2.451789481701133 (3.24795e-08% change) linmin: converged after 4 iterations. iteration 1069: trace = 2.451789481258622 (1.80485e-08% change) linmin: converged after 37 iterations. iteration 1070: trace = 2.451789480747143 (2.08615e-08% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.451789480414819 (1.35543e-08% change) linmin: converged after 4 iterations. iteration 1072: trace = 2.451789480281674 (5.43054e-09% change) large trace change predicted (1.94577e-08%) linmin: converged after 6 iterations. iteration 1073: trace = 2.451789479804613 (1.94577e-08% change) linmin: converged after 27 iterations. iteration 1074: trace = 2.451789479544049 (1.06275e-08% change) linmin: converged after 2 iterations. iteration 1075: trace = 2.451789479424181 (4.88897e-09% change) large trace change predicted (1.97902e-08%) linmin: converged after 4 iterations. iteration 1076: trace = 2.451789478938966 (1.97903e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.451789478678615 (1.06188e-08% change) linmin: converged after 5 iterations. iteration 1078: trace = 2.451789478372266 (1.24949e-08% change) large trace change predicted (2.82309e-08%) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789477680115 (2.82305e-08% change) linmin: converged after 31 iterations. iteration 1080: trace = 2.451789476989697 (2.81597e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.451789476674469 (1.28571e-08% change) large trace change predicted (3.72095e-08%) linmin: converged after 7 iterations. iteration 1082: trace = 2.451789475762183 (3.7209e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.451789474235218 (6.22796e-08% change) linmin: converged after 4 iterations. iteration 1084: trace = 2.451789473826679 (1.66629e-08% change) large trace change predicted (5.03872e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789472591307 (5.03866e-08% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.451789471461791 (4.6069e-08% change) linmin: converged after 29 iterations. iteration 1087: trace = 2.451789471046717 (1.69294e-08% change) linmin: converged after 2 iterations. iteration 1088: trace = 2.451789470670093 (1.53612e-08% change) linmin: converged after 6 iterations. iteration 1089: trace = 2.451789470298665 (1.51493e-08% change) linmin: converged after 17 iterations. iteration 1090: trace = 2.451789470162556 (5.55143e-09% change) linmin: converged after 13 iterations. iteration 1091: trace = 2.451789470004825 (6.43327e-09% change) large trace change predicted (1.40626e-08%) linmin: converged after 7 iterations. iteration 1092: trace = 2.451789469660041 (1.40626e-08% change) linmin: converged after 26 iterations. iteration 1093: trace = 2.451789469568434 (3.73632e-09% change) large trace change predicted (1.85868e-08%) linmin: converged after 4 iterations. iteration 1094: trace = 2.451789469112722 (1.85869e-08% change) linmin: converged after 3 iterations. iteration 1095: trace = 2.451789468596381 (2.10598e-08% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.451789468227171 (1.50588e-08% change) large trace change predicted (3.14959e-08%) linmin: converged after 7 iterations. iteration 1097: trace = 2.451789467454953 (3.14961e-08% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.45178946658875 (3.53294e-08% change) linmin: converged after 20 iterations. iteration 1099: trace = 2.451789466287087 (1.23038e-08% change) large trace change predicted (3.55773e-08%) linmin: converged after 4 iterations. iteration 1100: trace = 2.451789465414789 (3.5578e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.451789464747626 (2.72113e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.451789464435579 (1.27273e-08% change) large trace change predicted (4.05407e-08%) linmin: converged after 18 iterations. iteration 1103: trace = 2.451789463441569 (4.05422e-08% change) linmin: converged after 10 iterations. iteration 1104: trace = 2.451789462748178 (2.8281e-08% change) linmin: converged after 15 iterations. iteration 1105: trace = 2.451789462330157 (1.70496e-08% change) linmin: converged after 23 iterations. iteration 1106: trace = 2.451789462145334 (7.5383e-09% change) large trace change predicted (2.29615e-08%) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789461582362 (2.29617e-08% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.451789461231682 (1.4303e-08% change) linmin: converged after 6 iterations. iteration 1109: trace = 2.45178946096547 (1.08579e-08% change) linmin: converged after 3 iterations. iteration 1110: trace = 2.451789460509967 (1.85784e-08% change) linmin: converged after 5 iterations. iteration 1111: trace = 2.451789460200389 (1.26266e-08% change) linmin: converged after 11 iterations. iteration 1112: trace = 2.45178946005742 (5.83118e-09% change) large trace change predicted (2.54453e-08%) linmin: converged after 2 iterations. iteration 1113: trace = 2.451789459433559 (2.54451e-08% change) linmin: converged after 16 iterations. iteration 1114: trace = 2.451789459044971 (1.58492e-08% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.451789458600742 (1.81185e-08% change) large trace change predicted (7.88081e-08%) linmin: converged after 4 iterations. iteration 1116: trace = 2.451789456668532 (7.88082e-08% change) linmin: converged after 2 iterations. iteration 1117: trace = 2.451789455405069 (5.15323e-08% change) linmin: converged after 7 iterations. iteration 1118: trace = 2.45178945385554 (6.32e-08% change) linmin: converged after 5 iterations. iteration 1119: trace = 2.451789451277844 (1.05135e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.451789449662246 (6.58947e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.45178944891842 (3.03381e-08% change) linmin: converged after 4 iterations. iteration 1122: trace = 2.451789447740731 (4.80339e-08% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.451789446675521 (4.34462e-08% change) linmin: converged after 8 iterations. iteration 1124: trace = 2.451789446023695 (2.65857e-08% change) linmin: converged after 4 iterations. iteration 1125: trace = 2.451789445306098 (2.92683e-08% change) linmin: converged after 3 iterations. iteration 1126: trace = 2.45178944506495 (9.83557e-09% change) linmin: converged after 8 iterations. iteration 1127: trace = 2.451789444734314 (1.34855e-08% change) linmin: converged after 2 iterations. iteration 1128: trace = 2.451789444458031 (1.12686e-08% change) linmin: converged after 6 iterations. iteration 1129: trace = 2.451789444286344 (7.00249e-09% change) linmin: converged after 28 iterations. iteration 1130: trace = 2.451789444166759 (4.87747e-09% change) linmin: converged after 3 iterations. iteration 1131: trace = 2.451789443968024 (8.1057e-09% change) linmin: converged after 2 iterations. iteration 1132: trace = 2.45178944388787 (3.26923e-09% change) large trace change predicted (8.97515e-09%) linmin: converged after 3 iterations. iteration 1133: trace = 2.451789443667818 (8.97514e-09% change) linmin: converged after 6 iterations. iteration 1134: trace = 2.451789443312891 (1.44763e-08% change) linmin: converged after 6 iterations. iteration 1135: trace = 2.451789443184552 (5.23451e-09% change) linmin: converged after 2 iterations. iteration 1136: trace = 2.451789443017583 (6.81007e-09% change) large trace change predicted (1.84549e-08%) linmin: converged after 5 iterations. iteration 1137: trace = 2.451789442565114 (1.84547e-08% change) linmin: converged after 14 iterations. iteration 1138: trace = 2.451789442388533 (7.20213e-09% change) large trace change predicted (1.52676e-08%) linmin: converged after 7 iterations. iteration 1139: trace = 2.451789442014203 (1.52676e-08% change) linmin: converged after 7 iterations. iteration 1140: trace = 2.4517894416676 (1.41367e-08% change) linmin: converged after 5 iterations. iteration 1141: trace = 2.451789441319242 (1.42083e-08% change) linmin: converged after 17 iterations. iteration 1142: trace = 2.451789441097553 (9.04194e-09% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.451789440713976 (1.56448e-08% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789440516202 (8.06649e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.451789440434125 (3.34766e-09% change) large trace change predicted (1.01152e-08%) linmin: converged after 2 iterations. iteration 1146: trace = 2.451789440186119 (1.01153e-08% change) linmin: converged after 9 iterations. iteration 1147: trace = 2.451789440033512 (6.22432e-09% change) linmin: converged after 21 iterations. iteration 1148: trace = 2.451789439961218 (2.94863e-09% change) linmin: converged after 4 iterations. iteration 1149: trace = 2.451789439870455 (3.70191e-09% change) linmin: converged after 4 iterations. iteration 1150: trace = 2.451789439798363 (2.94039e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.451789439754878 (1.77359e-09% change) large trace change predicted (5.14389e-09%) linmin: converged after 26 iterations. iteration 1152: trace = 2.451789439628761 (5.14389e-09% change) linmin: converged after 15 iterations. iteration 1153: trace = 2.451789439401897 (9.25299e-09% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.451789439287924 (4.64854e-09% change) large trace change predicted (1.58405e-08%) linmin: converged after 4 iterations. iteration 1155: trace = 2.451789438899544 (1.58407e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.451789438520239 (1.54705e-08% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.451789438283033 (9.67482e-09% change) linmin: converged after 5 iterations. iteration 1158: trace = 2.451789437821364 (1.88299e-08% change) linmin: converged after 3 iterations. iteration 1159: trace = 2.451789437607752 (8.7125e-09% change) linmin: converged after 10 iterations. iteration 1160: trace = 2.451789437437839 (6.93014e-09% change) linmin: converged after 32 iterations. iteration 1161: trace = 2.45178943730911 (5.25043e-09% change) linmin: converged after 4 iterations. iteration 1162: trace = 2.451789437148058 (6.56872e-09% change) linmin: converged after 9 iterations. iteration 1163: trace = 2.451789437115199 (1.34021e-09% change) large trace change predicted (5.30213e-09%) linmin: converged after 5 iterations. iteration 1164: trace = 2.451789436985202 (5.30216e-09% change) linmin: converged after 21 iterations. iteration 1165: trace = 2.451789436899637 (3.4899e-09% change) linmin: converged after 21 iterations. iteration 1166: trace = 2.451789436852919 (1.90545e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.451789436763207 (3.65905e-09% change) linmin: converged after 11 iterations. iteration 1168: trace = 2.4517894366961 (2.73707e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.451789436639809 (2.2959e-09% change) linmin: converged after 19 iterations. iteration 1170: trace = 2.451789436540639 (4.04478e-09% change) linmin: converged after 25 iterations. iteration 1171: trace = 2.451789436343547 (8.03872e-09% change) linmin: converged after 6 iterations. iteration 1172: trace = 2.451789436285487 (2.36808e-09% change) large trace change predicted (9.22087e-09%) linmin: converged after 4 iterations. iteration 1173: trace = 2.451789436059413 (9.22075e-09% change) linmin: converged after 4 iterations. iteration 1174: trace = 2.451789435898903 (6.54668e-09% change) linmin: converged after 13 iterations. iteration 1175: trace = 2.451789435790163 (4.43512e-09% change) large trace change predicted (9.36149e-09%) linmin: converged after 17 iterations. iteration 1176: trace = 2.451789435560639 (9.36149e-09% change) linmin: converged after 9 iterations. iteration 1177: trace = 2.45178943531349 (1.00803e-08% change) linmin: converged after 20 iterations. iteration 1178: trace = 2.451789435256082 (2.34149e-09% change) large trace change predicted (4.85786e-09%) linmin: converged after 4 iterations. iteration 1179: trace = 2.451789435136979 (4.8578e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.451789434982879 (6.2852e-09% change) linmin: converged after 9 iterations. iteration 1181: trace = 2.451789434957619 (1.03026e-09% change) large trace change predicted (3.42653e-09%) linmin: converged after 22 iterations. iteration 1182: trace = 2.451789434873608 (3.42652e-09% change) linmin: converged after 7 iterations. iteration 1183: trace = 2.451789434807611 (2.69182e-09% change) linmin: converged after 7 iterations. iteration 1184: trace = 2.451789434723494 (3.43081e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.451789434679703 (1.78609e-09% change) large trace change predicted (3.99949e-09%) linmin: converged after 8 iterations. iteration 1186: trace = 2.451789434581643 (3.99952e-09% change) linmin: converged after 9 iterations. iteration 1187: trace = 2.451789434558997 (9.23647e-10% change) linmin: converged after 5 iterations. iteration 1188: trace = 2.451789434519231 (1.62193e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.451789434451805 (2.75008e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.451789434422104 (1.21139e-09% change) linmin: converged after 2 iterations. iteration 1191: trace = 2.451789434392857 (1.19291e-09% change) linmin: converged after 9 iterations. iteration 1192: trace = 2.451789434361934 (1.26122e-09% change) linmin: converged after 4 iterations. iteration 1193: trace = 2.451789434342768 (7.81715e-10% change) large trace change predicted (2.47557e-09%) linmin: converged after 4 iterations. iteration 1194: trace = 2.451789434282075 (2.47548e-09% change) linmin: converged after 6 iterations. iteration 1195: trace = 2.451789434210927 (2.90184e-09% change) linmin: converged after 3 iterations. iteration 1196: trace = 2.451789434183926 (1.1013e-09% change) large trace change predicted (3.5652e-09%) linmin: converged after 6 iterations. iteration 1197: trace = 2.451789434096516 (3.56515e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.451789434006128 (3.6866e-09% change) linmin: converged after 2 iterations. iteration 1199: trace = 2.45178943395647 (2.02538e-09% change) linmin: converged after 4 iterations. iteration 1200: trace = 2.451789433912758 (1.78285e-09% change) large trace change predicted (4.45119e-09%) linmin: converged after 4 iterations. iteration 1201: trace = 2.451789433803623 (4.45127e-09% change) linmin: converged after 6 iterations. iteration 1202: trace = 2.451789433724199 (3.23941e-09% change) linmin: converged after 3 iterations. iteration 1203: trace = 2.451789433610208 (4.64932e-09% change) large trace change predicted (1.00092e-08%) linmin: converged after 6 iterations. iteration 1204: trace = 2.451789433364803 (1.00092e-08% change) linmin: converged after 18 iterations. iteration 1205: trace = 2.451789433311883 (2.15842e-09% change) large trace change predicted (7.15387e-09%) linmin: converged after 4 iterations. iteration 1206: trace = 2.451789433136487 (7.15382e-09% change) linmin: converged after 7 iterations. iteration 1207: trace = 2.451789432932343 (8.32634e-09% change) linmin: converged after 25 iterations. iteration 1208: trace = 2.451789432856997 (3.07308e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789432743141 (4.64379e-09% change) linmin: converged after 3 iterations. iteration 1210: trace = 2.451789432663305 (3.25624e-09% change) linmin: converged after 2 iterations. iteration 1211: trace = 2.451789432617499 (1.86827e-09% change) linmin: converged after 5 iterations. iteration 1212: trace = 2.451789432549501 (2.77341e-09% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.451789432466114 (3.40105e-09% change) linmin: converged after 16 iterations. iteration 1214: trace = 2.451789432446599 (7.9597e-10% change) large trace change predicted (2.62532e-09%) linmin: converged after 19 iterations. iteration 1215: trace = 2.45178943238223 (2.62537e-09% change) linmin: converged after 5 iterations. iteration 1216: trace = 2.451789432317128 (2.65529e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.45178943228107 (1.47067e-09% change) linmin: converged after 9 iterations. iteration 1218: trace = 2.45178943221439 (2.71966e-09% change) linmin: converged after 19 iterations. iteration 1219: trace = 2.451789432121988 (3.76876e-09% change) linmin: converged after 6 iterations. iteration 1220: trace = 2.45178943202066 (4.13281e-09% change) linmin: converged after 11 iterations. iteration 1221: trace = 2.451789431966354 (2.21495e-09% change) large trace change predicted (7.55665e-09%) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789431781084 (7.5565e-09% change) linmin: converged after 8 iterations. iteration 1223: trace = 2.451789431508482 (1.11185e-08% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.451789431385076 (5.03329e-09% change) linmin: converged after 4 iterations. iteration 1225: trace = 2.451789431216244 (6.88609e-09% change) linmin: converged after 6 iterations. iteration 1226: trace = 2.451789430923533 (1.19387e-08% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.451789430870446 (2.16525e-09% change) linmin: converged after 3 iterations. iteration 1228: trace = 2.451789430779974 (3.69004e-09% change) linmin: converged after 18 iterations. iteration 1229: trace = 2.451789430727954 (2.12172e-09% change) linmin: converged after 3 iterations. iteration 1230: trace = 2.451789430700477 (1.12068e-09% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789430670006 (1.24281e-09% change) large trace change predicted (2.55394e-09%) linmin: converged after 4 iterations. iteration 1232: trace = 2.451789430607393 (2.55377e-09% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.451789430577938 (1.20135e-09% change) linmin: converged after 3 iterations. iteration 1234: trace = 2.451789430519133 (2.39847e-09% change) large trace change predicted (4.83639e-09%) linmin: converged after 27 iterations. iteration 1235: trace = 2.451789430400551 (4.83653e-09% change) linmin: converged after 4 iterations. iteration 1236: trace = 2.451789430368845 (1.29319e-09% change) large trace change predicted (6.05723e-09%) linmin: converged after 6 iterations. iteration 1237: trace = 2.451789430220332 (6.05734e-09% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.451789430056495 (6.68232e-09% change) linmin: converged after 3 iterations. iteration 1239: trace = 2.451789429968116 (3.60469e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.451789429865507 (4.18503e-09% change) linmin: converged after 7 iterations. iteration 1241: trace = 2.451789429683847 (7.40928e-09% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.451789429548457 (5.52212e-09% change) linmin: converged after 3 iterations. iteration 1243: trace = 2.451789429479671 (2.80552e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789429357532 (4.98165e-09% change) linmin: converged after 13 iterations. iteration 1245: trace = 2.451789429280286 (3.15059e-09% change) linmin: converged after 7 iterations. iteration 1246: trace = 2.451789429222937 (2.33906e-09% change) linmin: converged after 6 iterations. iteration 1247: trace = 2.451789429109776 (4.61543e-09% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.451789429078443 (1.27799e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.451789429048324 (1.22845e-09% change) large trace change predicted (2.95254e-09%) linmin: converged after 4 iterations. iteration 1250: trace = 2.451789428975934 (2.95254e-09% change) linmin: converged after 8 iterations. iteration 1251: trace = 2.451789428941578 (1.40123e-09% change) large trace change predicted (3.77471e-09%) linmin: converged after 5 iterations. iteration 1252: trace = 2.451789428849028 (3.77481e-09% change) linmin: converged after 25 iterations. iteration 1253: trace = 2.451789428685892 (6.65374e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.451789428603921 (3.34333e-09% change) linmin: converged after 25 iterations. iteration 1255: trace = 2.45178942849087 (4.61095e-09% change) large trace change predicted (1.24802e-08%) linmin: converged after 4 iterations. iteration 1256: trace = 2.451789428184882 (1.24802e-08% change) linmin: converged after 27 iterations. iteration 1257: trace = 2.451789427972233 (8.67318e-09% change) linmin: converged after 6 iterations. iteration 1258: trace = 2.451789427863944 (4.41673e-09% change) large trace change predicted (1.49895e-08%) linmin: converged after 2 iterations. iteration 1259: trace = 2.451789427496434 (1.49895e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1260: trace = 2.451789427229748 (1.08772e-08% change) linmin: converged after 2 iterations. iteration 1261: trace = 2.451789427137647 (3.75648e-09% change) large trace change predicted (8.22834e-09%) linmin: converged after 3 iterations. iteration 1262: trace = 2.451789426935905 (8.22835e-09% change) linmin: converged after 19 iterations. iteration 1263: trace = 2.451789426740881 (7.95437e-09% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.45178942667814 (2.55898e-09% change) large trace change predicted (5.52962e-09%) linmin: converged after 4 iterations. iteration 1265: trace = 2.451789426542564 (5.52966e-09% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.451789426464158 (3.1979e-09% change) linmin: converged after 18 iterations. iteration 1267: trace = 2.451789426437545 (1.08545e-09% change) large trace change predicted (2.72648e-09%) linmin: converged after 3 iterations. iteration 1268: trace = 2.451789426370696 (2.72655e-09% change) linmin: converged after 5 iterations. iteration 1269: trace = 2.451789426338858 (1.29857e-09% change) linmin: converged after 3 iterations. iteration 1270: trace = 2.451789426305691 (1.35278e-09% change) linmin: converged after 4 iterations. iteration 1271: trace = 2.451789426279388 (1.07282e-09% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.451789426237581 (1.70516e-09% change) linmin: converged after 3 iterations. iteration 1273: trace = 2.451789426216187 (8.72551e-10% change) large trace change predicted (3.02915e-09%) linmin: converged after 5 iterations. iteration 1274: trace = 2.451789426141918 (3.02918e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.451789426116505 (1.03654e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.45178942607098 (1.85677e-09% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.451789425984872 (3.51205e-09% change) linmin: converged after 4 iterations. iteration 1278: trace = 2.451789425928714 (2.29052e-09% change) linmin: converged after 4 iterations. iteration 1279: trace = 2.451789425889455 (1.60125e-09% change) linmin: converged after 4 iterations. iteration 1280: trace = 2.451789425812603 (3.1345e-09% change) linmin: converged after 8 iterations. iteration 1281: trace = 2.451789425707664 (4.28009e-09% change) linmin: converged after 3 iterations. iteration 1282: trace = 2.45178942569188 (6.43785e-10% change) large trace change predicted (3.17842e-09%) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789425613951 (3.17844e-09% change) linmin: converged after 10 iterations. iteration 1284: trace = 2.451789425584072 (1.21867e-09% change) linmin: converged after 3 iterations. iteration 1285: trace = 2.451789425560972 (9.42195e-10% change) linmin: converged after 9 iterations. iteration 1286: trace = 2.451789425526964 (1.38705e-09% change) linmin: converged after 6 iterations. iteration 1287: trace = 2.451789425501177 (1.05178e-09% change) linmin: converged after 9 iterations. iteration 1288: trace = 2.451789425491163 (4.08409e-10% change) large trace change predicted (8.41877e-10%) linmin: converged after 9 iterations. iteration 1289: trace = 2.451789425470522 (8.41904e-10% change) linmin: converged after 4 iterations. iteration 1290: trace = 2.451789425452517 (7.34332e-10% change) linmin: converged after 15 iterations. iteration 1291: trace = 2.451789425445291 (2.94732e-10% change) large trace change predicted (1.34722e-09%) linmin: converged after 17 iterations. iteration 1292: trace = 2.451789425412259 (1.34727e-09% change) large trace change predicted (3.29478e-09%) linmin: converged after 4 iterations. iteration 1293: trace = 2.451789425331476 (3.29484e-09% change) linmin: converged after 24 iterations. iteration 1294: trace = 2.451789425267337 (2.61604e-09% change) linmin: converged after 19 iterations. iteration 1295: trace = 2.451789425218018 (2.01152e-09% change) linmin: converged after 4 iterations. iteration 1296: trace = 2.451789425139652 (3.1963e-09% change) linmin: converged after 37 iterations. iteration 1297: trace = 2.451789425041345 (4.00957e-09% change) linmin: converged after 4 iterations. iteration 1298: trace = 2.451789425026982 (5.85824e-10% change) large trace change predicted (1.66487e-09%) linmin: converged after 6 iterations. iteration 1299: trace = 2.451789424986166 (1.66473e-09% change) linmin: converged after 3 iterations. iteration 1300: trace = 2.451789424956009 (1.23003e-09% change) linmin: converged after 4 iterations. iteration 1301: trace = 2.451789424947298 (3.55266e-10% change) large trace change predicted (8.71949e-10%) linmin: converged after 13 iterations. iteration 1302: trace = 2.451789424925917 (8.7208e-10% change) linmin: converged after 13 iterations. iteration 1303: trace = 2.451789424905763 (8.22016e-10% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.451789424897634 (3.31556e-10% change) large trace change predicted (8.86816e-10%) linmin: converged after 16 iterations. iteration 1305: trace = 2.451789424875889 (8.86896e-10% change) linmin: converged after 12 iterations. iteration 1306: trace = 2.451789424852433 (9.56703e-10% change) linmin: converged after 13 iterations. iteration 1307: trace = 2.451789424847001 (2.21538e-10% change) large trace change predicted (8.00756e-10%) linmin: converged after 6 iterations. iteration 1308: trace = 2.451789424827366 (8.00842e-10% change) linmin: converged after 13 iterations. iteration 1309: trace = 2.451789424804521 (9.3178e-10% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789424792122 (5.05693e-10% change) large trace change predicted (1.20925e-09%) linmin: converged after 5 iterations. iteration 1311: trace = 2.451789424762473 (1.20929e-09% change) linmin: converged after 18 iterations. iteration 1312: trace = 2.451789424718855 (1.77901e-09% change) linmin: converged after 8 iterations. iteration 1313: trace = 2.451789424701826 (6.94574e-10% change) large trace change predicted (1.70514e-09%) linmin: converged after 15 iterations. iteration 1314: trace = 2.451789424660017 (1.70525e-09% change) linmin: converged after 22 iterations. iteration 1315: trace = 2.451789424615196 (1.82808e-09% change) linmin: converged after 12 iterations. iteration 1316: trace = 2.451789424597263 (7.31434e-10% change) large trace change predicted (2.21836e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.451789424542875 (2.21828e-09% change) linmin: converged after 18 iterations. iteration 1318: trace = 2.451789424526053 (6.86133e-10% change) linmin: converged after 6 iterations. iteration 1319: trace = 2.451789424514784 (4.59596e-10% change) large trace change predicted (9.26817e-10%) linmin: converged after 14 iterations. iteration 1320: trace = 2.45178942449206 (9.26835e-10% change) linmin: converged after 18 iterations. iteration 1321: trace = 2.451789424470515 (8.78782e-10% change) linmin: converged after 19 iterations. iteration 1322: trace = 2.451789424465921 (1.87341e-10% change) large trace change predicted (7.01848e-10%) linmin: converged after 2 iterations. iteration 1323: trace = 2.451789424448711 (7.01946e-10% change) linmin: converged after 2 iterations. iteration 1324: trace = 2.451789424433705 (6.12034e-10% change) linmin: converged after 6 iterations. iteration 1325: trace = 2.451789424426388 (2.98446e-10% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.451789424416425 (4.06344e-10% change) linmin: converged after 3 iterations. iteration 1327: trace = 2.451789424406977 (3.85369e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.451789424400278 (2.73214e-10% change) linmin: converged after 5 iterations. iteration 1329: trace = 2.451789424397185 (1.26174e-10% change) resetting CG direction... linmin: converged after 7 iterations. iteration 1330: trace = 2.451789424394275 (1.18675e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.451789424388553 (2.33366e-10% change) linmin: converged after 3 iterations. iteration 1332: trace = 2.451789424379673 (3.62203e-10% change) linmin: converged after 11 iterations. iteration 1333: trace = 2.45178942437572 (1.61241e-10% change) large trace change predicted (4.98832e-10%) linmin: converged after 8 iterations. iteration 1334: trace = 2.451789424363489 (4.98864e-10% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.45178942435101 (5.08953e-10% change) linmin: converged after 20 iterations. iteration 1336: trace = 2.451789424344633 (2.60083e-10% change) large trace change predicted (6.3334e-10%) linmin: converged after 4 iterations. iteration 1337: trace = 2.451789424329105 (6.33352e-10% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.451789424310663 (7.52173e-10% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.451789424305757 (2.00111e-10% change) large trace change predicted (8.28029e-10%) linmin: converged after 4 iterations. iteration 1340: trace = 2.451789424285456 (8.28011e-10% change) linmin: converged after 6 iterations. iteration 1341: trace = 2.451789424267144 (7.46884e-10% change) linmin: converged after 5 iterations. iteration 1342: trace = 2.451789424255321 (4.82201e-10% change) large trace change predicted (1.15706e-09%) linmin: converged after 4 iterations. iteration 1343: trace = 2.451789424226955 (1.15698e-09% change) linmin: converged after 4 iterations. iteration 1344: trace = 2.451789424180962 (1.87588e-09% change) linmin: converged after 12 iterations. iteration 1345: trace = 2.451789424170844 (4.12702e-10% change) large trace change predicted (1.50816e-09%) linmin: converged after 15 iterations. iteration 1346: trace = 2.45178942413387 (1.50802e-09% change) linmin: converged after 11 iterations. iteration 1347: trace = 2.451789424099075 (1.41918e-09% change) linmin: converged after 6 iterations. iteration 1348: trace = 2.451789424085236 (5.64415e-10% change) linmin: converged after 8 iterations. iteration 1349: trace = 2.451789424061922 (9.50925e-10% change) linmin: converged after 6 iterations. iteration 1350: trace = 2.451789424043751 (7.41106e-10% change) linmin: converged after 7 iterations. iteration 1351: trace = 2.451789424028824 (6.08828e-10% change) linmin: converged after 9 iterations. iteration 1352: trace = 2.451789424021038 (3.17591e-10% change) large trace change predicted (6.93944e-10%) linmin: converged after 19 iterations. iteration 1353: trace = 2.451789424004023 (6.93976e-10% change) linmin: converged after 10 iterations. iteration 1354: trace = 2.451789423999843 (1.7046e-10% change) large trace change predicted (4.70362e-10%) linmin: converged after 6 iterations. iteration 1355: trace = 2.451789423988311 (4.70373e-10% change) linmin: converged after 7 iterations. iteration 1356: trace = 2.451789423973782 (5.92598e-10% change) linmin: converged after 6 iterations. iteration 1357: trace = 2.451789423958085 (6.40199e-10% change) linmin: converged after 7 iterations. iteration 1358: trace = 2.451789423953085 (2.03933e-10% change) large trace change predicted (7.31508e-10%) linmin: converged after 3 iterations. iteration 1359: trace = 2.451789423935152 (7.31434e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.45178942391602 (7.80338e-10% change) linmin: converged after 20 iterations. iteration 1361: trace = 2.451789423904315 (4.77401e-10% change) large trace change predicted (1.76616e-09%) linmin: converged after 24 iterations. iteration 1362: trace = 2.451789423861011 (1.7662e-09% change) linmin: converged after 16 iterations. iteration 1363: trace = 2.451789423791956 (2.81653e-09% change) linmin: converged after 5 iterations. iteration 1364: trace = 2.451789423759873 (1.30855e-09% change) linmin: converged after 4 iterations. iteration 1365: trace = 2.45178942374146 (7.50995e-10% change) large trace change predicted (1.90337e-09%) linmin: converged after 5 iterations. iteration 1366: trace = 2.451789423694792 (1.90343e-09% change) linmin: converged after 3 iterations. iteration 1367: trace = 2.451789423685287 (3.87688e-10% change) large trace change predicted (7.97914e-10%) linmin: converged after 7 iterations. iteration 1368: trace = 2.451789423665726 (7.97835e-10% change) linmin: converged after 3 iterations. iteration 1369: trace = 2.451789423655523 (4.16143e-10% change) linmin: converged after 4 iterations. iteration 1370: trace = 2.45178942364595 (3.90459e-10% change) linmin: converged after 4 iterations. iteration 1371: trace = 2.451789423643321 (1.0721e-10% change) large trace change predicted (4.70111e-10%) linmin: converged after 7 iterations. iteration 1372: trace = 2.451789423631797 (4.70047e-10% change) linmin: converged after 5 iterations. iteration 1373: trace = 2.451789423619186 (5.14333e-10% change) linmin: converged after 3 iterations. iteration 1374: trace = 2.451789423613052 (2.50211e-10% change) large trace change predicted (9.9911e-10%) linmin: converged after 4 iterations. iteration 1375: trace = 2.451789423588557 (9.99033e-10% change) linmin: converged after 24 iterations. iteration 1376: trace = 2.451789423560153 (1.1585e-09% change) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789423550397 (3.9794e-10% change) large trace change predicted (1.23489e-09%) linmin: converged after 4 iterations. iteration 1378: trace = 2.451789423520121 (1.23484e-09% change) linmin: converged after 6 iterations. iteration 1379: trace = 2.451789423493839 (1.07196e-09% change) linmin: converged after 9 iterations. iteration 1380: trace = 2.451789423481064 (5.21053e-10% change) large trace change predicted (1.45949e-09%) linmin: converged after 4 iterations. iteration 1381: trace = 2.451789423445286 (1.45926e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.451789423410633 (1.41336e-09% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.451789423402574 (3.28694e-10% change) large trace change predicted (8.9588e-10%) linmin: converged after 5 iterations. iteration 1384: trace = 2.45178942338061 (8.95826e-10% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789423357214 (9.54276e-10% change) linmin: converged after 3 iterations. iteration 1386: trace = 2.451789423351902 (2.1663e-10% change) large trace change predicted (8.49233e-10%) linmin: converged after 7 iterations. iteration 1387: trace = 2.451789423331078 (8.4933e-10% change) linmin: converged after 4 iterations. iteration 1388: trace = 2.451789423320269 (4.40867e-10% change) linmin: converged after 6 iterations. iteration 1389: trace = 2.451789423313442 (2.78449e-10% change) linmin: converged after 4 iterations. iteration 1390: trace = 2.451789423304801 (3.5244e-10% change) large trace change predicted (9.22237e-10%) linmin: converged after 7 iterations. iteration 1391: trace = 2.451789423282191 (9.2218e-10% change) linmin: converged after 16 iterations. iteration 1392: trace = 2.451789423259696 (9.17525e-10% change) linmin: converged after 16 iterations. iteration 1393: trace = 2.451789423248817 (4.43711e-10% change) large trace change predicted (1.2429e-09%) linmin: converged after 13 iterations. iteration 1394: trace = 2.451789423218342 (1.24294e-09% change) linmin: converged after 2 iterations. iteration 1395: trace = 2.451789423169966 (1.97309e-09% change) linmin: converged after 18 iterations. iteration 1396: trace = 2.451789423150292 (8.02454e-10% change) large trace change predicted (1.75739e-09%) linmin: converged after 12 iterations. iteration 1397: trace = 2.451789423107204 (1.7574e-09% change) linmin: converged after 3 iterations. iteration 1398: trace = 2.45178942304133 (2.68677e-09% change) linmin: converged after 21 iterations. iteration 1399: trace = 2.451789423020716 (8.40763e-10% change) resetting CG direction... linmin: converged after 10 iterations. iteration 1400: trace = 2.451789423001669 (7.76879e-10% change) large trace change predicted (2.04794e-09%) linmin: converged after 13 iterations. iteration 1401: trace = 2.451789422951459 (2.04791e-09% change) linmin: converged after 13 iterations. iteration 1402: trace = 2.451789422912974 (1.56964e-09% change) linmin: converged after 17 iterations. iteration 1403: trace = 2.451789422897277 (6.40235e-10% change) large trace change predicted (1.43669e-09%) linmin: converged after 4 iterations. iteration 1404: trace = 2.451789422862054 (1.4366e-09% change) linmin: converged after 3 iterations. iteration 1405: trace = 2.451789422834602 (1.1197e-09% change) linmin: converged after 6 iterations. iteration 1406: trace = 2.451789422827996 (2.69447e-10% change) large trace change predicted (6.08508e-10%) linmin: converged after 15 iterations. iteration 1407: trace = 2.451789422813076 (6.08502e-10% change) linmin: converged after 6 iterations. iteration 1408: trace = 2.45178942280115 (4.86421e-10% change) linmin: converged after 9 iterations. iteration 1409: trace = 2.451789422798615 (1.03388e-10% change) large trace change predicted (4.17252e-10%) linmin: converged after 16 iterations. iteration 1410: trace = 2.451789422788386 (4.17212e-10% change) linmin: converged after 15 iterations. iteration 1411: trace = 2.451789422783766 (1.88446e-10% change) linmin: converged after 12 iterations. iteration 1412: trace = 2.45178942277979 (1.62183e-10% change) large trace change predicted (4.32677e-10%) linmin: converged after 13 iterations. iteration 1413: trace = 2.45178942276918 (4.32716e-10% change) linmin: converged after 16 iterations. iteration 1414: trace = 2.451789422754389 (6.03303e-10% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.451789422748386 (2.44832e-10% change) linmin: converged after 5 iterations. iteration 1416: trace = 2.451789422738112 (4.19041e-10% change) linmin: converged after 24 iterations. iteration 1417: trace = 2.45178942272285 (6.22467e-10% change) linmin: converged after 15 iterations. iteration 1418: trace = 2.451789422714696 (3.32588e-10% change) linmin: converged after 4 iterations. iteration 1419: trace = 2.451789422701207 (5.50178e-10% change) linmin: converged after 15 iterations. iteration 1420: trace = 2.451789422686304 (6.07813e-10% change) linmin: converged after 5 iterations. iteration 1421: trace = 2.451789422678437 (3.20869e-10% change) linmin: converged after 5 iterations. iteration 1422: trace = 2.451789422663559 (6.06817e-10% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.451789422646198 (7.08104e-10% change) linmin: converged after 3 iterations. iteration 1424: trace = 2.451789422640567 (2.29689e-10% change) linmin: converged after 8 iterations. iteration 1425: trace = 2.451789422634855 (2.32968e-10% change) linmin: converged after 6 iterations. iteration 1426: trace = 2.451789422628617 (2.54413e-10% change) linmin: converged after 4 iterations. iteration 1427: trace = 2.451789422624128 (1.83085e-10% change) linmin: converged after 2 iterations. iteration 1428: trace = 2.451789422622152 (8.06203e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 40.907231092453 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528835622853752 (1.93408% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710256591797 (0.719325% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945038402044 (0.629896% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433221401285 (0.140856% change) large trace change predicted (0.375523%) linmin: converged after 9 iterations. iteration 5: trace = 2.481385880287045 (0.40409% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821356425244 (0.103404% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475783790137634 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.473421213035119 (0.095473% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471218577986 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.471068757935873 (0.0567391% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470688997321039 (0.0153695% change) large trace change predicted (0.0415685%) linmin: converged after 4 iterations. iteration 12: trace = 2.46965298207185 (0.041941% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469043759025708 (0.0246714% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577138521715 (0.0189006% change) linmin: converged after 3 iterations. iteration 15: trace = 2.467728373029662 (0.0343887% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467452693076368 (0.011172% change) large trace change predicted (0.0408232%) linmin: converged after 4 iterations. iteration 17: trace = 2.466431927074881 (0.0413778% change) linmin: converged after 4 iterations. iteration 18: trace = 2.466143492629534 (0.0116951% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689514018308 (0.0184101% change) linmin: converged after 3 iterations. iteration 20: trace = 2.465064361213043 (0.0253573% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464843821812685 (0.008947% change) large trace change predicted (0.0298108%) linmin: converged after 5 iterations. iteration 22: trace = 2.464106826713191 (0.0299047% change) linmin: converged after 4 iterations. iteration 23: trace = 2.46392455408104 (0.00739738% change) large trace change predicted (0.0205068%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417410851519 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.46291764972663 (0.0202894% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692526740485 (0.00914092% change) large trace change predicted (0.0279875%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009141321257 (0.0277534% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750183698924 (0.0105187% change) large trace change predicted (0.0224553%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203177631109 (0.0222227% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460686968130636 (0.0209761% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471695435345 (0.00874886% change) large trace change predicted (0.0259486%) linmin: converged after 4 iterations. iteration 32: trace = 2.459844742951768 (0.0254842% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427388505419 (0.0169681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157191438898 (0.0109868% change) large trace change predicted (0.0241654%) linmin: converged after 7 iterations. iteration 35: trace = 2.458586457315785 (0.0232112% change) linmin: converged after 4 iterations. iteration 36: trace = 2.458221939186266 (0.0148274% change) linmin: converged after 4 iterations. iteration 37: trace = 2.457859755224113 (0.0147347% change) linmin: converged after 5 iterations. iteration 38: trace = 2.457513412428167 (0.0140922% change) linmin: converged after 3 iterations. iteration 39: trace = 2.457345159153073 (0.00684672% change) linmin: converged after 6 iterations. iteration 40: trace = 2.457029941649328 (0.0128284% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456936768930809 (0.00379216% change) linmin: converged after 4 iterations. iteration 42: trace = 2.45677037787349 (0.00677253% change) linmin: converged after 4 iterations. iteration 43: trace = 2.45664443806603 (0.00512637% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574471799905 (0.00284808% change) large trace change predicted (0.00678953%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409447931487 (0.00671787% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456321880963008 (0.0035649% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456237557678135 (0.00343297% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190037379741 (0.0019347% change) large trace change predicted (0.00555265%) linmin: converged after 5 iterations. iteration 49: trace = 2.45605391676065 (0.0055421% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008018425403 (0.0018688% change) large trace change predicted (0.00438809%) linmin: converged after 10 iterations. iteration 51: trace = 2.455900067124595 (0.00439549% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455831807078584 (0.00277947% change) linmin: converged after 3 iterations. iteration 53: trace = 2.45571194872274 (0.00488068% change) linmin: converged after 4 iterations. iteration 54: trace = 2.455664608344839 (0.00192778% change) large trace change predicted (0.00469282%) linmin: converged after 3 iterations. iteration 55: trace = 2.455548839854564 (0.00471446% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472335170424 (0.00311563% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455354845596776 (0.00478492% change) linmin: converged after 6 iterations. iteration 58: trace = 2.455239933570239 (0.00468017% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455056242934394 (0.00748186% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878461965681 (0.00724168% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746244652286 (0.00538605% change) linmin: converged after 3 iterations. iteration 62: trace = 2.454558274381136 (0.00765771% change) linmin: converged after 6 iterations. iteration 63: trace = 2.45445576793348 (0.00417625% change) large trace change predicted (0.00930693%) linmin: converged after 3 iterations. iteration 64: trace = 2.454225592778512 (0.00937829% change) linmin: converged after 9 iterations. iteration 65: trace = 2.454124536854129 (0.00411771% change) linmin: converged after 4 iterations. iteration 66: trace = 2.453937490740318 (0.00762199% change) linmin: converged after 3 iterations. iteration 67: trace = 2.453808457677954 (0.00525834% change) linmin: converged after 4 iterations. iteration 68: trace = 2.453622279661339 (0.0075876% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453501823171109 (0.00490945% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.453442561630652 (0.00241542% change) large trace change predicted (0.00624582%) linmin: converged after 3 iterations. iteration 71: trace = 2.453289391592125 (0.00624326% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139152908334 (0.00612416% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047139975666 (0.00375089% change) large trace change predicted (0.00966959%) linmin: converged after 4 iterations. iteration 74: trace = 2.452810667786671 (0.0096404% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613091840147 (0.00805541% change) linmin: converged after 4 iterations. iteration 76: trace = 2.452556059028332 (0.00232542% change) large trace change predicted (0.00551899%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421314223548 (0.00549421% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452337732084682 (0.00340821% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304098570835 (0.0013715% change) large trace change predicted (0.00452284%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193289080962 (0.00451869% change) linmin: converged after 3 iterations. iteration 81: trace = 2.452083216184186 (0.00448885% change) linmin: converged after 4 iterations. iteration 82: trace = 2.452049654219597 (0.00136872% change) large trace change predicted (0.00425729%) linmin: converged after 4 iterations. iteration 83: trace = 2.4519449224063 (0.00427129% change) linmin: converged after 5 iterations. iteration 84: trace = 2.451875822520063 (0.00281821% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838463237884 (0.00152371% change) large trace change predicted (0.00517301%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711055287221 (0.00519656% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670229420646 (0.00166521% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615152949801 (0.00224651% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565247676208 (0.00203563% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451542650187945 (0.000921762% change) large trace change predicted (0.00192509%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495353995989 (0.00192926% change) linmin: converged after 3 iterations. iteration 92: trace = 2.45143723836865 (0.00237065% change) linmin: converged after 3 iterations. iteration 93: trace = 2.451416288638979 (0.000854593% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379530186526 (0.00149949% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451330662128609 (0.00199351% change) linmin: converged after 6 iterations. iteration 96: trace = 2.451319841096784 (0.000441436% change) large trace change predicted (0.00157805%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281044306035 (0.0015827% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451251697721011 (0.0011972% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242212356795 (0.000386961% change) large trace change predicted (0.0013024%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210268728965 (0.00130317% change) linmin: converged after 13 iterations. iteration 101: trace = 2.451185020936856 (0.00103002% change) linmin: converged after 5 iterations. iteration 102: trace = 2.451169317734417 (0.000640639% change) large trace change predicted (0.00233876%) linmin: converged after 9 iterations. iteration 103: trace = 2.45111203216483 (0.0023371% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069437607502 (0.00173778% change) linmin: converged after 8 iterations. iteration 105: trace = 2.451014044374419 (0.00225999% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936043992018 (0.00318242% change) linmin: converged after 5 iterations. iteration 107: trace = 2.450891275223262 (0.00182662% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830264744822 (0.00248935% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450789442525795 (0.00166566% change) linmin: converged after 6 iterations. iteration 110: trace = 2.450776519856323 (0.000527287% change) large trace change predicted (0.00118421%) linmin: converged after 5 iterations. iteration 111: trace = 2.45074749191427 (0.00118445% change) linmin: converged after 4 iterations. iteration 112: trace = 2.450708328310213 (0.00159804% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695517248692 (0.000522751% change) large trace change predicted (0.00227156%) linmin: converged after 3 iterations. iteration 114: trace = 2.450639777253123 (0.00227448% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616577414082 (0.000946689% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450596602956892 (0.000815082% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450567406204783 (0.00119142% change) linmin: converged after 6 iterations. iteration 118: trace = 2.45055973613533 (0.000312992% change) linmin: converged after 3 iterations. iteration 119: trace = 2.450544428984526 (0.000624641% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450517859157306 (0.00108425% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450507854433861 (0.000408271% change) large trace change predicted (0.00138608%) linmin: converged after 11 iterations. iteration 122: trace = 2.450473916405802 (0.00138495% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413194673419 (0.00247799% change) linmin: converged after 5 iterations. iteration 124: trace = 2.45039958944132 (0.000555223% change) large trace change predicted (0.0026382%) linmin: converged after 3 iterations. iteration 125: trace = 2.450335076210459 (0.0026328% change) linmin: converged after 4 iterations. iteration 126: trace = 2.450315977436661 (0.000779438% change) large trace change predicted (0.00253205%) linmin: converged after 4 iterations. iteration 127: trace = 2.450253993297314 (0.00252967% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450207960618981 (0.00187871% change) linmin: converged after 5 iterations. iteration 129: trace = 2.450189696902869 (0.000745397% change) large trace change predicted (0.00217927%) linmin: converged after 5 iterations. iteration 130: trace = 2.450136389169349 (0.00217568% change) linmin: converged after 8 iterations. iteration 131: trace = 2.450076330622716 (0.00245126% change) linmin: converged after 10 iterations. iteration 132: trace = 2.450058600253932 (0.000723669% change) linmin: converged after 4 iterations. iteration 133: trace = 2.4500241724175 (0.00140519% change) linmin: converged after 7 iterations. iteration 134: trace = 2.449978368737983 (0.00186954% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968658077907 (0.000396358% change) large trace change predicted (0.00120586%) linmin: converged after 3 iterations. iteration 136: trace = 2.449939108693887 (0.00120612% change) linmin: converged after 3 iterations. iteration 137: trace = 2.4499195085643 (0.000800028% change) linmin: converged after 8 iterations. iteration 138: trace = 2.449912751591169 (0.000275804% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900431371318 (0.000502885% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.449894739785795 (0.000232319% change) linmin: converged after 3 iterations. iteration 141: trace = 2.44989211255594 (0.000107239% change) large trace change predicted (0.000347648%) linmin: converged after 3 iterations. iteration 142: trace = 2.449883594769116 (0.000347681% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876565383328 (0.000286928% change) linmin: converged after 3 iterations. iteration 144: trace = 2.449871943333109 (0.000188665% change) large trace change predicted (0.000699523%) linmin: converged after 3 iterations. iteration 145: trace = 2.449854777518547 (0.000700685% change) linmin: converged after 3 iterations. iteration 146: trace = 2.449848181924596 (0.000269224% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839631586652 (0.000349016% change) linmin: converged after 3 iterations. iteration 148: trace = 2.44982659155787 (0.000532282% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449819906897662 (0.000272863% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813440232863 (0.000263965% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804515196214 (0.000364316% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797523487561 (0.000285399% change) linmin: converged after 3 iterations. iteration 153: trace = 2.449789635452501 (0.000321988% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449774962137093 (0.000598964% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770971129646 (0.000162913% change) large trace change predicted (0.000434011%) linmin: converged after 3 iterations. iteration 156: trace = 2.449760339023761 (0.000434005% change) linmin: converged after 3 iterations. iteration 157: trace = 2.44975438088574 (0.000243213% change) linmin: converged after 3 iterations. iteration 158: trace = 2.449751710804136 (0.000108994% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747843842799 (0.000157851% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743787572092 (0.000165579% change) linmin: converged after 3 iterations. iteration 161: trace = 2.449742595182274 (4.86741e-05% change) large trace change predicted (0.000191996%) linmin: converged after 4 iterations. iteration 162: trace = 2.449737891461872 (0.000192009% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731477140993 (0.000261837% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729444884537 (8.29584e-05% change) large trace change predicted (0.00035883%) linmin: converged after 3 iterations. iteration 165: trace = 2.449720648524013 (0.000359075% change) linmin: converged after 3 iterations. iteration 166: trace = 2.449713859939826 (0.000277117% change) linmin: converged after 3 iterations. iteration 167: trace = 2.449711568608925 (9.35347e-05% change) large trace change predicted (0.00027661%) linmin: converged after 3 iterations. iteration 168: trace = 2.449704789821924 (0.000276718% change) linmin: converged after 5 iterations. iteration 169: trace = 2.44969729432237 (0.000305976% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695108843754 (8.92143e-05% change) large trace change predicted (0.000348294%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686567071138 (0.000348688% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677700786883 (0.000361936% change) linmin: converged after 4 iterations. iteration 173: trace = 2.44967434418135 (0.000137022% change) large trace change predicted (0.000280073%) linmin: converged after 3 iterations. iteration 174: trace = 2.449667476833763 (0.000280338% change) linmin: converged after 3 iterations. iteration 175: trace = 2.449659786108707 (0.00031395% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657665372331 (8.65727e-05% change) large trace change predicted (0.000237577%) linmin: converged after 3 iterations. iteration 177: trace = 2.449651845897965 (0.000237563% change) linmin: converged after 4 iterations. iteration 178: trace = 2.449647740548636 (0.000167589% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645793132559 (7.94978e-05% change) large trace change predicted (0.000192699%) linmin: converged after 4 iterations. iteration 180: trace = 2.44964107481931 (0.000192612% change) linmin: converged after 3 iterations. iteration 181: trace = 2.44963672275332 (0.000177662% change) linmin: converged after 5 iterations. iteration 182: trace = 2.4496343487377 (9.6913e-05% change) large trace change predicted (0.000269478%) linmin: converged after 5 iterations. iteration 183: trace = 2.449627764751947 (0.000268775% change) linmin: converged after 4 iterations. iteration 184: trace = 2.449623521620726 (0.000173215% change) linmin: converged after 6 iterations. iteration 185: trace = 2.449619945441669 (0.000145989% change) large trace change predicted (0.000335672%) linmin: converged after 8 iterations. iteration 186: trace = 2.44961173976347 (0.000334978% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608110369652 (0.000148162% change) linmin: converged after 4 iterations. iteration 188: trace = 2.449605374284042 (0.000111695% change) large trace change predicted (0.000303776%) linmin: converged after 4 iterations. iteration 189: trace = 2.449597938212218 (0.000303562% change) linmin: converged after 3 iterations. iteration 190: trace = 2.449593564375619 (0.000178553% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588267487987 (0.000216236% change) large trace change predicted (0.000567611%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574359241264 (0.000567781% change) linmin: converged after 4 iterations. iteration 193: trace = 2.44957139523052 (0.000121001% change) large trace change predicted (0.000461467%) linmin: converged after 3 iterations. iteration 194: trace = 2.449560076036978 (0.00046209% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553138058969 (0.000283234% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550439717482 (0.000110157% change) linmin: converged after 4 iterations. iteration 197: trace = 2.44954586141763 (0.000186904% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540087298394 (0.000235722% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538364880811 (7.0316e-05% change) large trace change predicted (0.000254916%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532113790537 (0.000255195% change) linmin: converged after 3 iterations. iteration 201: trace = 2.449527815811324 (0.000175461% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524347083639 (0.000141608% change) large trace change predicted (0.000358923%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515548742839 (0.000359186% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449504853210458 (0.00043664% change) linmin: converged after 3 iterations. iteration 205: trace = 2.44950007422936 (0.0001951% change) linmin: converged after 3 iterations. iteration 206: trace = 2.449492574707983 (0.000306166% change) linmin: converged after 4 iterations. iteration 207: trace = 2.449485297656544 (0.000297084% change) linmin: converged after 11 iterations. iteration 208: trace = 2.449478002629638 (0.000297819% change) large trace change predicted (0.000695197%) linmin: converged after 4 iterations. iteration 209: trace = 2.449460977014305 (0.000695074% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449457906857862 (0.00012534% change) linmin: converged after 4 iterations. iteration 211: trace = 2.449453676637042 (0.0001727% change) linmin: converged after 3 iterations. iteration 212: trace = 2.449447948878535 (0.000233838% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446103386749 (7.53432e-05% change) large trace change predicted (0.000170708%) linmin: converged after 4 iterations. iteration 214: trace = 2.449441922604545 (0.000170683% change) linmin: converged after 3 iterations. iteration 215: trace = 2.449437034112251 (0.000199576% change) linmin: converged after 5 iterations. iteration 216: trace = 2.449435814608945 (4.97871e-05% change) large trace change predicted (0.000117839%) linmin: converged after 4 iterations. iteration 217: trace = 2.449432928626089 (0.000117822% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431357233609 (6.41533e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.449430683718728 (2.74968e-05% change) large trace change predicted (8.12658e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.44942869363575 (8.12468e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.4494269417507 (7.15222e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.449426096982875 (3.44884e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424457950776 (6.6915e-05% change) linmin: converged after 5 iterations. iteration 224: trace = 2.449422342721131 (8.63562e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.449421296232769 (4.27239e-05% change) large trace change predicted (0.000126917%) linmin: converged after 5 iterations. iteration 226: trace = 2.449418188224089 (0.000126888% change) linmin: converged after 4 iterations. iteration 227: trace = 2.449416203722055 (8.10194e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415136608474 (4.3566e-05% change) large trace change predicted (0.000127575%) linmin: converged after 4 iterations. iteration 229: trace = 2.449412010680139 (0.000127619% change) linmin: converged after 3 iterations. iteration 230: trace = 2.449410205070899 (7.37161e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.449408475225177 (7.0623e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.449406501153421 (8.05938e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.449405655098596 (3.45412e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.449404221583195 (5.8525e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.44940221623801 (8.18708e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.449401358226006 (3.50295e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.449399642850644 (7.00325e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398468868474 (4.79294e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397552593561 (3.74082e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.449397054914753 (2.03184e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.4493960640168 (4.04548e-05% change) linmin: converged after 5 iterations. iteration 242: trace = 2.449395770623867 (1.19782e-05% change) large trace change predicted (4.18218e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.449394746183745 (4.18242e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.449393766884569 (3.99813e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.449393177503311 (2.40623e-05% change) large trace change predicted (6.12655e-05%) linmin: converged after 3 iterations. iteration 246: trace = 2.449391676977864 (6.12611e-05% change) linmin: converged after 5 iterations. iteration 247: trace = 2.449389640141209 (8.31569e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.449389225985039 (1.69085e-05% change) large trace change predicted (5.16724e-05%) linmin: converged after 8 iterations. iteration 249: trace = 2.449387960450762 (5.16674e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.449386785139829 (4.79839e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.449386395140215 (1.59223e-05% change) large trace change predicted (8.27326e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.449384369829805 (8.26865e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.449383208422345 (4.74163e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.449382623010036 (2.39004e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.449381730595067 (3.64343e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.449380830336132 (3.67545e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.449380179508411 (2.65711e-05% change) linmin: converged after 8 iterations. iteration 258: trace = 2.449379136502328 (4.25825e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.449378700300766 (1.78087e-05% change) large trace change predicted (3.71524e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.449377790400051 (3.71482e-05% change) linmin: converged after 6 iterations. iteration 261: trace = 2.449376984398115 (3.29064e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449376190866039 (3.23973e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375492558298 (2.85096e-05% change) large trace change predicted (6.34459e-05%) linmin: converged after 5 iterations. iteration 264: trace = 2.449373939012265 (6.34262e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.449373256352861 (2.78708e-05% change) linmin: converged after 7 iterations. iteration 266: trace = 2.449371917425242 (5.46641e-05% change) linmin: converged after 16 iterations. iteration 267: trace = 2.449369818730686 (8.5683e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.449369419499658 (1.62993e-05% change) large trace change predicted (6.33895e-05%) linmin: converged after 7 iterations. iteration 269: trace = 2.449367867808004 (6.33507e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.449366855796328 (4.13173e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.449366505422522 (1.43047e-05% change) large trace change predicted (3.21945e-05%) linmin: converged after 4 iterations. iteration 272: trace = 2.44936571664766 (3.22032e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.449364430227226 (5.25206e-05% change) linmin: converged after 2 iterations. iteration 274: trace = 2.449364121023936 (1.26238e-05% change) large trace change predicted (5.22132e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.449362842052537 (5.22165e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.449361933238716 (3.71041e-05% change) linmin: converged after 8 iterations. iteration 277: trace = 2.449361695621695 (9.70118e-06% change) large trace change predicted (3.13517e-05%) linmin: converged after 3 iterations. iteration 278: trace = 2.44936092767736 (3.13528e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.44936043627633 (2.00624e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.44936030751279 (5.25703e-06% change) large trace change predicted (1.13287e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.449360030021133 (1.13291e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.449359649741579 (1.55257e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.449359410681115 (9.76012e-06% change) large trace change predicted (2.86873e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.449358707931273 (2.86912e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.449357743904453 (3.93583e-05% change) linmin: converged after 4 iterations. iteration 286: trace = 2.449357396670719 (1.41765e-05% change) large trace change predicted (3.95169e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.449356428598943 (3.95235e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.449356113223855 (1.28758e-05% change) linmin: converged after 2 iterations. iteration 289: trace = 2.449355759933308 (1.44238e-05% change) large trace change predicted (3.07442e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.449355006825495 (3.07472e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354508800738 (2.03329e-05% change) linmin: converged after 4 iterations. iteration 292: trace = 2.449353738583892 (3.14457e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.449352687940018 (4.28947e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.449351857076731 (3.39218e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.449351560463647 (1.21099e-05% change) large trace change predicted (3.70777e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350652122164 (3.7085e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.449350268788234 (1.56504e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.44934991196918 (1.45679e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.449349531172341 (1.55469e-05% change) linmin: converged after 9 iterations. iteration 300: trace = 2.449349197287282 (1.36316e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348863453712 (1.36295e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.449348223796789 (2.61154e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449347661768068 (2.29461e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.449347339518247 (1.31566e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.449346725588638 (2.5065e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.44934620512824 (2.12489e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.449345887106603 (1.29839e-05% change) large trace change predicted (3.13083e-05%) linmin: converged after 4 iterations. iteration 308: trace = 2.449345120105821 (3.13145e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344826975364 (1.19677e-05% change) linmin: converged after 4 iterations. iteration 310: trace = 2.449344426952477 (1.63318e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.449343781354552 (2.6358e-05% change) linmin: converged after 3 iterations. iteration 312: trace = 2.449343128515342 (2.66536e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342758590793 (1.5103e-05% change) large trace change predicted (3.14456e-05%) linmin: converged after 4 iterations. iteration 314: trace = 2.449341988297598 (3.1449e-05% change) linmin: converged after 2 iterations. iteration 315: trace = 2.449341697386792 (1.18771e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.449341359971648 (1.37757e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.449340764537525 (2.431e-05% change) linmin: converged after 5 iterations. iteration 318: trace = 2.449340659819921 (4.27534e-06% change) large trace change predicted (1.56027e-05%) linmin: converged after 5 iterations. iteration 319: trace = 2.449340277712121 (1.56004e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.449339944903019 (1.35877e-05% change) linmin: converged after 5 iterations. iteration 321: trace = 2.449339797222007 (6.02942e-06% change) large trace change predicted (2.21045e-05%) linmin: converged after 3 iterations. iteration 322: trace = 2.44933925603923 (2.2095e-05% change) linmin: converged after 7 iterations. iteration 323: trace = 2.449338374180063 (3.6004e-05% change) linmin: converged after 3 iterations. iteration 324: trace = 2.449338137465493 (9.66443e-06% change) large trace change predicted (2.00127e-05%) linmin: converged after 4 iterations. iteration 325: trace = 2.449337647487037 (2.00045e-05% change) linmin: converged after 5 iterations. iteration 326: trace = 2.449336984471528 (2.70692e-05% change) linmin: converged after 4 iterations. iteration 327: trace = 2.449336768135586 (8.83243e-06% change) large trace change predicted (2.71559e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.449336103149716 (2.71496e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.449334911417844 (4.86553e-05% change) linmin: converged after 2 iterations. iteration 330: trace = 2.449334632133061 (1.14025e-05% change) large trace change predicted (4.85699e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.449333442410763 (4.85733e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.44933242518044 (4.15309e-05% change) linmin: converged after 17 iterations. iteration 333: trace = 2.449332013611801 (1.68033e-05% change) linmin: converged after 5 iterations. iteration 334: trace = 2.449331369436345 (2.63e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.44933057121121 (3.25895e-05% change) linmin: converged after 2 iterations. iteration 336: trace = 2.4493303886021 (7.45547e-06% change) large trace change predicted (1.57399e-05%) linmin: converged after 5 iterations. iteration 337: trace = 2.449330003075556 (1.57401e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.449329561084078 (1.80454e-05% change) linmin: converged after 4 iterations. iteration 339: trace = 2.449329434930895 (5.15052e-06% change) large trace change predicted (2.28042e-05%) linmin: converged after 4 iterations. iteration 340: trace = 2.449328876309704 (2.28071e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.44932845105468 (1.73621e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.449328116745158 (1.3649e-05% change) linmin: converged after 18 iterations. iteration 343: trace = 2.449327599174991 (2.11311e-05% change) linmin: converged after 3 iterations. iteration 344: trace = 2.449326648431838 (3.88165e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.449326252280752 (1.61739e-05% change) large trace change predicted (4.60992e-05%) linmin: converged after 3 iterations. iteration 346: trace = 2.449325122909094 (4.61095e-05% change) linmin: converged after 3 iterations. iteration 347: trace = 2.449324394800561 (2.97269e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324137003548 (1.05252e-05% change) large trace change predicted (6.4693e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.449322552018102 (6.47112e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.449321604091125 (3.87016e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.449321378781461 (9.19886e-06% change) large trace change predicted (2.53306e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.449320758320209 (2.5332e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.449320154400592 (2.46566e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.449319959297054 (7.96562e-06% change) large trace change predicted (2.91363e-05%) linmin: converged after 3 iterations. iteration 355: trace = 2.449319245699915 (2.91345e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449318963891112 (1.15056e-05% change) linmin: converged after 3 iterations. iteration 357: trace = 2.449318763233041 (8.1924e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318416567269 (1.41536e-05% change) linmin: converged after 3 iterations. iteration 359: trace = 2.449318157048221 (1.05956e-05% change) linmin: converged after 2 iterations. iteration 360: trace = 2.44931802662274 (5.32497e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.449317769658546 (1.04913e-05% change) linmin: converged after 5 iterations. iteration 362: trace = 2.449317512503567 (1.0499e-05% change) linmin: converged after 8 iterations. iteration 363: trace = 2.449317439930709 (2.96298e-06% change) large trace change predicted (1.5319e-05%) linmin: converged after 3 iterations. iteration 364: trace = 2.449317064804062 (1.53156e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.449316702517427 (1.47913e-05% change) linmin: converged after 5 iterations. iteration 366: trace = 2.449316434899296 (1.09262e-05% change) linmin: converged after 5 iterations. iteration 367: trace = 2.449316061012866 (1.52649e-05% change) linmin: converged after 5 iterations. iteration 368: trace = 2.449315556927604 (2.05807e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315394260794 (6.64132e-06% change) large trace change predicted (2.08971e-05%) linmin: converged after 3 iterations. iteration 370: trace = 2.449314882462867 (2.08956e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314659446546 (9.10525e-06% change) linmin: converged after 3 iterations. iteration 372: trace = 2.449314388119221 (1.10777e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.449313990527825 (1.62328e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449313795950834 (7.94414e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.44931353873829 (1.05014e-05% change) linmin: converged after 5 iterations. iteration 376: trace = 2.449313166879656 (1.51822e-05% change) linmin: converged after 6 iterations. iteration 377: trace = 2.449313051534611 (4.70928e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.449312856890927 (7.94687e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.449312697939417 (6.48964e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312550591656 (6.01588e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.449312507753915 (1.74897e-06% change) large trace change predicted (6.66608e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312344476217 (6.66627e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.449312240685327 (4.23755e-06% change) linmin: converged after 3 iterations. iteration 384: trace = 2.449312131229922 (4.46882e-06% change) large trace change predicted (1.21251e-05%) linmin: converged after 4 iterations. iteration 385: trace = 2.449311834284032 (1.21236e-05% change) linmin: converged after 16 iterations. iteration 386: trace = 2.449311683464622 (6.15762e-06% change) large trace change predicted (1.27351e-05%) linmin: converged after 3 iterations. iteration 387: trace = 2.449311371593311 (1.2733e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.449311170787675 (8.19845e-06% change) linmin: converged after 3 iterations. iteration 389: trace = 2.449311037843268 (5.42783e-06% change) linmin: converged after 3 iterations. iteration 390: trace = 2.449310859280728 (7.29032e-06% change) linmin: converged after 4 iterations. iteration 391: trace = 2.449310547155132 (1.27434e-05% change) linmin: converged after 5 iterations. iteration 392: trace = 2.449310473998916 (2.98681e-06% change) large trace change predicted (1.02e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310224199947 (1.01987e-05% change) linmin: converged after 8 iterations. iteration 394: trace = 2.449310018192379 (8.41084e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449309931716642 (3.53062e-06% change) large trace change predicted (8.36512e-06%) linmin: converged after 5 iterations. iteration 396: trace = 2.449309726827512 (8.36518e-06% change) linmin: converged after 4 iterations. iteration 397: trace = 2.449309542731483 (7.51624e-06% change) linmin: converged after 7 iterations. iteration 398: trace = 2.449309489830346 (2.15984e-06% change) large trace change predicted (7.60708e-06%) linmin: converged after 3 iterations. iteration 399: trace = 2.449309303510666 (7.60703e-06% change) linmin: converged after 2 iterations. iteration 400: trace = 2.449309186223467 (4.78858e-06% change) linmin: converged after 5 iterations. iteration 401: trace = 2.449309137039732 (2.00807e-06% change) large trace change predicted (8.52481e-06%) linmin: converged after 3 iterations. iteration 402: trace = 2.449308928254444 (8.52425e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308714904274 (8.71063e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.44930863340114 (3.3276e-06% change) large trace change predicted (8.53354e-06%) linmin: converged after 5 iterations. iteration 405: trace = 2.449308424398219 (8.53314e-06% change) linmin: converged after 3 iterations. iteration 406: trace = 2.449308204465218 (8.97939e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.449308145989102 (2.38745e-06% change) large trace change predicted (9.43267e-06%) linmin: converged after 3 iterations. iteration 408: trace = 2.449307914971971 (9.43193e-06% change) linmin: converged after 6 iterations. iteration 409: trace = 2.449307782046017 (5.42708e-06% change) linmin: converged after 3 iterations. iteration 410: trace = 2.449307698639797 (3.4053e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.449307585156109 (4.6333e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.449307409362349 (7.17728e-06% change) linmin: converged after 6 iterations. iteration 413: trace = 2.449307348860196 (2.47017e-06% change) large trace change predicted (7.38126e-06%) linmin: converged after 4 iterations. iteration 414: trace = 2.449307168105663 (7.37982e-06% change) linmin: converged after 4 iterations. iteration 415: trace = 2.449307054485503 (4.63887e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.44930697110695 (3.40417e-06% change) linmin: converged after 4 iterations. iteration 417: trace = 2.449306835253363 (5.54661e-06% change) linmin: converged after 4 iterations. iteration 418: trace = 2.4493067836543 (2.10668e-06% change) linmin: converged after 2 iterations. iteration 419: trace = 2.449306745115031 (1.57348e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 420: trace = 2.449306714973555 (1.23061e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.449306684310444 (1.25191e-06% change) large trace change predicted (3.83627e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.449306590341533 (3.83655e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.449306510630658 (3.25443e-06% change) linmin: converged after 6 iterations. iteration 424: trace = 2.44930644347683 (2.74175e-06% change) large trace change predicted (8.02234e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930624695483 (8.02358e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.449306195070034 (2.11835e-06% change) large trace change predicted (5.51103e-06%) linmin: converged after 8 iterations. iteration 427: trace = 2.449306060081021 (5.51132e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449305956711705 (4.22035e-06% change) linmin: converged after 6 iterations. iteration 429: trace = 2.449305912373021 (1.81026e-06% change) large trace change predicted (5.75965e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.449305771292786 (5.76001e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.449305620681718 (6.14913e-06% change) linmin: converged after 6 iterations. iteration 432: trace = 2.449305557917781 (2.56252e-06% change) large trace change predicted (5.51157e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305422912153 (5.512e-06% change) linmin: converged after 7 iterations. iteration 434: trace = 2.449305225639571 (8.05423e-06% change) linmin: converged after 2 iterations. iteration 435: trace = 2.449305187714003 (1.54842e-06% change) large trace change predicted (7.37983e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305006949351 (7.38024e-06% change) linmin: converged after 4 iterations. iteration 437: trace = 2.449304900939481 (4.32816e-06% change) linmin: converged after 6 iterations. iteration 438: trace = 2.449304858651067 (1.72655e-06% change) linmin: converged after 4 iterations. iteration 439: trace = 2.449304775564902 (3.39223e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.449304655626171 (4.89685e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.449304614909718 (1.66237e-06% change) large trace change predicted (3.58409e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.449304527119937 (3.58427e-06% change) linmin: converged after 4 iterations. iteration 443: trace = 2.44930438741249 (5.70396e-06% change) linmin: converged after 3 iterations. iteration 444: trace = 2.449304340829486 (1.90189e-06% change) large trace change predicted (5.72968e-06%) linmin: converged after 4 iterations. iteration 445: trace = 2.4493042004741 (5.73042e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.449304059475266 (5.75669e-06% change) linmin: converged after 3 iterations. iteration 447: trace = 2.449304001348855 (2.37318e-06% change) large trace change predicted (5.89615e-06%) linmin: converged after 3 iterations. iteration 448: trace = 2.44930385692082 (5.8967e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303748175197 (4.43986e-06% change) linmin: converged after 8 iterations. iteration 450: trace = 2.449303702714054 (1.85608e-06% change) large trace change predicted (5.5254e-06%) linmin: converged after 3 iterations. iteration 451: trace = 2.449303567368746 (5.52587e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303407525267 (6.52608e-06% change) linmin: converged after 10 iterations. iteration 453: trace = 2.449303356727587 (2.07396e-06% change) large trace change predicted (5.99684e-06%) linmin: converged after 4 iterations. iteration 454: trace = 2.449303209837724 (5.99721e-06% change) linmin: converged after 4 iterations. iteration 455: trace = 2.44930307996063 (5.30261e-06% change) linmin: converged after 5 iterations. iteration 456: trace = 2.449303050355332 (1.20872e-06% change) large trace change predicted (5.09162e-06%) linmin: converged after 5 iterations. iteration 457: trace = 2.449302925648012 (5.09154e-06% change) linmin: converged after 5 iterations. iteration 458: trace = 2.449302887341435 (1.56398e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.449302854645608 (1.3349e-06% change) large trace change predicted (3.0766e-06%) linmin: converged after 12 iterations. iteration 460: trace = 2.449302779294728 (3.07642e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.449302712936977 (2.70925e-06% change) linmin: converged after 3 iterations. iteration 462: trace = 2.449302630633302 (3.36029e-06% change) large trace change predicted (6.99303e-06%) linmin: converged after 3 iterations. iteration 463: trace = 2.449302459412152 (6.99061e-06% change) linmin: converged after 12 iterations. iteration 464: trace = 2.449302332884025 (5.16588e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302279421806 (2.18275e-06% change) large trace change predicted (6.41698e-06%) linmin: converged after 5 iterations. iteration 466: trace = 2.44930212228675 (6.4155e-06% change) linmin: converged after 5 iterations. iteration 467: trace = 2.449301980670618 (5.7819e-06% change) linmin: converged after 4 iterations. iteration 468: trace = 2.449301929078421 (2.1064e-06% change) large trace change predicted (9.08327e-06%) linmin: converged after 3 iterations. iteration 469: trace = 2.44930170658303 (9.08403e-06% change) linmin: converged after 14 iterations. iteration 470: trace = 2.449301568768451 (5.62669e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.449301488771805 (3.2661e-06% change) large trace change predicted (9.79483e-06%) linmin: converged after 5 iterations. iteration 472: trace = 2.449301248807148 (9.79727e-06% change) linmin: converged after 16 iterations. iteration 473: trace = 2.449301130167489 (4.84382e-06% change) linmin: converged after 4 iterations. iteration 474: trace = 2.449301012756337 (4.79366e-06% change) linmin: converged after 4 iterations. iteration 475: trace = 2.449300877293907 (5.53066e-06% change) linmin: converged after 5 iterations. iteration 476: trace = 2.449300825307628 (2.12249e-06% change) linmin: converged after 3 iterations. iteration 477: trace = 2.449300768709764 (2.31078e-06% change) linmin: converged after 2 iterations. iteration 478: trace = 2.449300669243109 (4.06102e-06% change) linmin: converged after 6 iterations. iteration 479: trace = 2.449300641941234 (1.11468e-06% change) large trace change predicted (3.31239e-06%) linmin: converged after 6 iterations. iteration 480: trace = 2.449300560805698 (3.3126e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.449300484783796 (3.10382e-06% change) linmin: converged after 3 iterations. iteration 482: trace = 2.449300391460079 (3.81022e-06% change) linmin: converged after 6 iterations. iteration 483: trace = 2.449300319784389 (2.92637e-06% change) large trace change predicted (7.198e-06%) linmin: converged after 5 iterations. iteration 484: trace = 2.449300143489821 (7.19775e-06% change) linmin: converged after 7 iterations. iteration 485: trace = 2.449300056168954 (3.56514e-06% change) linmin: converged after 3 iterations. iteration 486: trace = 2.449299968029894 (3.59854e-06% change) large trace change predicted (7.64554e-06%) linmin: converged after 3 iterations. iteration 487: trace = 2.449299780774791 (7.64525e-06% change) linmin: converged after 3 iterations. iteration 488: trace = 2.449299725344497 (2.26311e-06% change) large trace change predicted (8.41934e-06%) linmin: converged after 8 iterations. iteration 489: trace = 2.44929951914947 (8.41853e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.449299351635389 (6.83927e-06% change) linmin: converged after 10 iterations. iteration 491: trace = 2.449299305802485 (1.87127e-06% change) large trace change predicted (6.4015e-06%) linmin: converged after 5 iterations. iteration 492: trace = 2.449299149012318 (6.40143e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.449299061023603 (3.5924e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.449298995151865 (2.68941e-06% change) large trace change predicted (6.07152e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.449298846440169 (6.0716e-06% change) linmin: converged after 6 iterations. iteration 496: trace = 2.449298788498163 (2.36566e-06% change) linmin: converged after 2 iterations. iteration 497: trace = 2.449298733348693 (2.25164e-06% change) linmin: converged after 6 iterations. iteration 498: trace = 2.449298670131161 (2.58105e-06% change) linmin: converged after 4 iterations. iteration 499: trace = 2.449298612934357 (2.33523e-06% change) linmin: converged after 3 iterations. iteration 500: trace = 2.449298585931256 (1.10248e-06% change) large trace change predicted (3.04804e-06%) linmin: converged after 14 iterations. iteration 501: trace = 2.449298511281332 (3.04781e-06% change) linmin: converged after 7 iterations. iteration 502: trace = 2.449298485403247 (1.05655e-06% change) linmin: converged after 4 iterations. iteration 503: trace = 2.449298445565793 (1.62648e-06% change) large trace change predicted (3.52176e-06%) linmin: converged after 12 iterations. iteration 504: trace = 2.449298359318417 (3.52131e-06% change) linmin: converged after 4 iterations. iteration 505: trace = 2.449298302258999 (2.32962e-06% change) linmin: converged after 7 iterations. iteration 506: trace = 2.44929821500941 (3.56223e-06% change) linmin: converged after 5 iterations. iteration 507: trace = 2.449298091212929 (5.05437e-06% change) linmin: converged after 4 iterations. iteration 508: trace = 2.449298052557328 (1.57823e-06% change) large trace change predicted (3.58613e-06%) linmin: converged after 6 iterations. iteration 509: trace = 2.449297964736928 (3.58553e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297856826355 (4.40578e-06% change) linmin: converged after 4 iterations. iteration 511: trace = 2.449297830984965 (1.05505e-06% change) large trace change predicted (3.4786e-06%) linmin: converged after 5 iterations. iteration 512: trace = 2.449297745777185 (3.47887e-06% change) linmin: converged after 7 iterations. iteration 513: trace = 2.449297664348485 (3.32457e-06% change) linmin: converged after 7 iterations. iteration 514: trace = 2.449297635730976 (1.1684e-06% change) large trace change predicted (2.70841e-06%) linmin: converged after 9 iterations. iteration 515: trace = 2.449297569384981 (2.70878e-06% change) linmin: converged after 3 iterations. iteration 516: trace = 2.449297486971397 (3.36478e-06% change) linmin: converged after 3 iterations. iteration 517: trace = 2.449297447564244 (1.60892e-06% change) linmin: converged after 21 iterations. iteration 518: trace = 2.449297417932958 (1.20979e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.44929738085559 (1.5138e-06% change) linmin: converged after 5 iterations. iteration 520: trace = 2.449297357857139 (9.38982e-07% change) linmin: converged after 3 iterations. iteration 521: trace = 2.449297347682093 (4.15427e-07% change) large trace change predicted (1.77475e-06%) linmin: converged after 3 iterations. iteration 522: trace = 2.449297304212035 (1.7748e-06% change) linmin: converged after 4 iterations. iteration 523: trace = 2.449297268862787 (1.44324e-06% change) linmin: converged after 4 iterations. iteration 524: trace = 2.449297234027465 (1.42226e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.449297179498088 (2.22633e-06% change) linmin: converged after 3 iterations. iteration 526: trace = 2.449297117870569 (2.51613e-06% change) linmin: converged after 7 iterations. iteration 527: trace = 2.449297081205399 (1.49697e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.449297024525437 (2.31413e-06% change) linmin: converged after 4 iterations. iteration 529: trace = 2.449297005719622 (7.67805e-07% change) linmin: converged after 16 iterations. iteration 530: trace = 2.449296968653756 (1.51333e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.449296906169598 (2.55111e-06% change) linmin: converged after 7 iterations. iteration 532: trace = 2.449296877303266 (1.17856e-06% change) linmin: converged after 6 iterations. iteration 533: trace = 2.449296830167533 (1.92446e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.449296773906711 (2.29702e-06% change) linmin: converged after 5 iterations. iteration 535: trace = 2.449296747114543 (1.09387e-06% change) linmin: converged after 10 iterations. iteration 536: trace = 2.449296708230779 (1.58755e-06% change) linmin: converged after 5 iterations. iteration 537: trace = 2.449296672936077 (1.44101e-06% change) linmin: converged after 11 iterations. iteration 538: trace = 2.449296658190051 (6.02051e-07% change) large trace change predicted (1.57715e-06%) linmin: converged after 3 iterations. iteration 539: trace = 2.449296619561457 (1.57713e-06% change) linmin: converged after 16 iterations. iteration 540: trace = 2.449296587868317 (1.29397e-06% change) linmin: converged after 5 iterations. iteration 541: trace = 2.449296562741537 (1.02588e-06% change) linmin: converged after 5 iterations. iteration 542: trace = 2.449296545883837 (6.88267e-07% change) large trace change predicted (2.37413e-06%) linmin: converged after 4 iterations. iteration 543: trace = 2.449296487736528 (2.37404e-06% change) linmin: converged after 10 iterations. iteration 544: trace = 2.449296472985569 (6.02253e-07% change) large trace change predicted (2.20951e-06%) linmin: converged after 14 iterations. iteration 545: trace = 2.449296418869638 (2.20945e-06% change) linmin: converged after 4 iterations. iteration 546: trace = 2.449296374918623 (1.79443e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.449296353752784 (8.6416e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.449296321837559 (1.30304e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.449296276156752 (1.86506e-06% change) linmin: converged after 5 iterations. iteration 550: trace = 2.44929626685448 (3.79794e-07% change) large trace change predicted (1.15006e-06%) linmin: converged after 5 iterations. iteration 551: trace = 2.449296238686291 (1.15005e-06% change) linmin: converged after 5 iterations. iteration 552: trace = 2.449296198586654 (1.63719e-06% change) linmin: converged after 9 iterations. iteration 553: trace = 2.449296186789166 (4.81668e-07% change) large trace change predicted (1.84515e-06%) linmin: converged after 4 iterations. iteration 554: trace = 2.449296141597265 (1.8451e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.449296110428632 (1.27255e-06% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296098425628 (4.90059e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.449296081236388 (7.01803e-07% change) linmin: converged after 10 iterations. iteration 558: trace = 2.449296067419615 (5.64112e-07% change) linmin: converged after 5 iterations. iteration 559: trace = 2.44929606070406 (2.74183e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.449296054745338 (2.43283e-07% change) linmin: converged after 16 iterations. iteration 561: trace = 2.449296043405657 (4.62977e-07% change) linmin: converged after 5 iterations. iteration 562: trace = 2.449296027575388 (6.46319e-07% change) linmin: converged after 7 iterations. iteration 563: trace = 2.449296017666236 (4.04571e-07% change) large trace change predicted (1.14911e-06%) linmin: converged after 5 iterations. iteration 564: trace = 2.449295989519766 (1.14917e-06% change) linmin: converged after 5 iterations. iteration 565: trace = 2.449295950710058 (1.58453e-06% change) linmin: converged after 13 iterations. iteration 566: trace = 2.449295937829025 (5.25908e-07% change) large trace change predicted (1.54819e-06%) linmin: converged after 4 iterations. iteration 567: trace = 2.449295899908615 (1.54822e-06% change) linmin: converged after 9 iterations. iteration 568: trace = 2.449295879264306 (8.42867e-07% change) linmin: converged after 10 iterations. iteration 569: trace = 2.449295870732358 (3.48343e-07% change) large trace change predicted (1.4753e-06%) linmin: converged after 4 iterations. iteration 570: trace = 2.449295834596736 (1.47535e-06% change) linmin: converged after 5 iterations. iteration 571: trace = 2.449295804100883 (1.24509e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.449295788152661 (6.51135e-07% change) linmin: converged after 5 iterations. iteration 573: trace = 2.449295756327806 (1.29935e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.449295711074936 (1.84759e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.449295701235799 (4.01713e-07% change) large trace change predicted (1.81311e-06%) linmin: converged after 4 iterations. iteration 576: trace = 2.449295656825715 (1.81318e-06% change) linmin: converged after 13 iterations. iteration 577: trace = 2.449295639042718 (7.26045e-07% change) linmin: converged after 3 iterations. iteration 578: trace = 2.449295626327265 (5.19147e-07% change) linmin: converged after 2 iterations. iteration 579: trace = 2.449295603846149 (9.1786e-07% change) linmin: converged after 16 iterations. iteration 580: trace = 2.44929558417435 (8.03162e-07% change) linmin: converged after 5 iterations. iteration 581: trace = 2.449295569590974 (5.95411e-07% change) linmin: converged after 3 iterations. iteration 582: trace = 2.449295545581143 (9.80275e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.449295527634643 (7.32721e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295503635431 (9.79841e-07% change) linmin: converged after 10 iterations. iteration 585: trace = 2.449295465907961 (1.54034e-06% change) linmin: converged after 6 iterations. iteration 586: trace = 2.449295445122632 (8.48625e-07% change) linmin: converged after 3 iterations. iteration 587: trace = 2.449295419292762 (1.05458e-06% change) linmin: converged after 2 iterations. iteration 588: trace = 2.449295384683286 (1.41304e-06% change) linmin: converged after 5 iterations. iteration 589: trace = 2.449295360434269 (9.90041e-07% change) linmin: converged after 10 iterations. iteration 590: trace = 2.449295349138475 (4.61185e-07% change) large trace change predicted (1.24833e-06%) linmin: converged after 3 iterations. iteration 591: trace = 2.449295318562707 (1.24835e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295282469476 (1.47362e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.449295271322558 (4.55107e-07% change) large trace change predicted (1.48232e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.449295235014803 (1.48238e-06% change) linmin: converged after 10 iterations. iteration 595: trace = 2.449295210798875 (9.8869e-07% change) linmin: converged after 6 iterations. iteration 596: trace = 2.449295201323868 (3.86846e-07% change) large trace change predicted (1.22595e-06%) linmin: converged after 13 iterations. iteration 597: trace = 2.449295171297463 (1.22592e-06% change) linmin: converged after 7 iterations. iteration 598: trace = 2.449295164550011 (2.75485e-07% change) linmin: converged after 4 iterations. iteration 599: trace = 2.449295154711375 (4.01693e-07% change) linmin: converged after 5 iterations. iteration 600: trace = 2.449295137717296 (6.93836e-07% change) linmin: converged after 9 iterations. iteration 601: trace = 2.449295126961918 (4.39121e-07% change) large trace change predicted (9.66065e-07%) linmin: converged after 3 iterations. iteration 602: trace = 2.449295103301667 (9.66002e-07% change) linmin: converged after 6 iterations. iteration 603: trace = 2.449295059653703 (1.78206e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.449295031414221 (1.15296e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.449295019210457 (4.98256e-07% change) large trace change predicted (1.6434e-06%) linmin: converged after 3 iterations. iteration 606: trace = 2.449294978963337 (1.64321e-06% change) linmin: converged after 10 iterations. iteration 607: trace = 2.449294943064171 (1.46569e-06% change) linmin: converged after 5 iterations. iteration 608: trace = 2.449294930839756 (4.99099e-07% change) large trace change predicted (1.80441e-06%) linmin: converged after 5 iterations. iteration 609: trace = 2.449294886643386 (1.80445e-06% change) linmin: converged after 5 iterations. iteration 610: trace = 2.44929485032495 (1.48281e-06% change) linmin: converged after 4 iterations. iteration 611: trace = 2.449294834197011 (6.58473e-07% change) large trace change predicted (2.01661e-06%) linmin: converged after 4 iterations. iteration 612: trace = 2.449294784799871 (2.01679e-06% change) linmin: converged after 3 iterations. iteration 613: trace = 2.449294746489379 (1.56414e-06% change) linmin: converged after 5 iterations. iteration 614: trace = 2.449294728844993 (7.20386e-07% change) linmin: converged after 4 iterations. iteration 615: trace = 2.449294699535736 (1.19664e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.44929467923764 (8.28732e-07% change) linmin: converged after 11 iterations. iteration 617: trace = 2.44929467246856 (2.76369e-07% change) large trace change predicted (9.76622e-07%) linmin: converged after 9 iterations. iteration 618: trace = 2.449294648547427 (9.76654e-07% change) linmin: converged after 5 iterations. iteration 619: trace = 2.449294634630122 (5.68217e-07% change) linmin: converged after 10 iterations. iteration 620: trace = 2.449294622550513 (4.93187e-07% change) linmin: converged after 10 iterations. iteration 621: trace = 2.449294604568438 (7.34174e-07% change) linmin: converged after 9 iterations. iteration 622: trace = 2.449294579985816 (1.00366e-06% change) linmin: converged after 3 iterations. iteration 623: trace = 2.449294567815568 (4.96888e-07% change) large trace change predicted (1.6146e-06%) linmin: converged after 3 iterations. iteration 624: trace = 2.449294528269634 (1.61458e-06% change) linmin: converged after 16 iterations. iteration 625: trace = 2.449294503843136 (9.97287e-07% change) linmin: converged after 19 iterations. iteration 626: trace = 2.449294487572642 (6.64293e-07% change) large trace change predicted (1.81401e-06%) linmin: converged after 5 iterations. iteration 627: trace = 2.449294443143055 (1.81397e-06% change) linmin: converged after 4 iterations. iteration 628: trace = 2.449294426853144 (6.65086e-07% change) large trace change predicted (1.75574e-06%) linmin: converged after 7 iterations. iteration 629: trace = 2.449294383851292 (1.75568e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294346588244 (1.52138e-06% change) linmin: converged after 8 iterations. iteration 631: trace = 2.449294333185672 (5.47201e-07% change) large trace change predicted (1.5728e-06%) linmin: converged after 2 iterations. iteration 632: trace = 2.449294294662892 (1.57281e-06% change) linmin: converged after 7 iterations. iteration 633: trace = 2.44929427922999 (6.30096e-07% change) linmin: converged after 6 iterations. iteration 634: trace = 2.449294258026163 (8.65712e-07% change) linmin: converged after 4 iterations. iteration 635: trace = 2.449294225331267 (1.33487e-06% change) linmin: converged after 27 iterations. iteration 636: trace = 2.449294214288267 (4.50865e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.449294198165947 (6.58244e-07% change) linmin: converged after 9 iterations. iteration 638: trace = 2.449294183761697 (5.88098e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.4492941729228 (4.42531e-07% change) linmin: converged after 19 iterations. iteration 640: trace = 2.44929416428341 (3.5273e-07% change) large trace change predicted (7.72907e-07%) linmin: converged after 5 iterations. iteration 641: trace = 2.449294145353249 (7.72882e-07% change) linmin: converged after 19 iterations. iteration 642: trace = 2.449294140713028 (1.89451e-07% change) large trace change predicted (5.18426e-07%) linmin: converged after 3 iterations. iteration 643: trace = 2.449294128015006 (5.18436e-07% change) linmin: converged after 8 iterations. iteration 644: trace = 2.449294108413367 (8.00297e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.449294097132025 (4.60596e-07% change) large trace change predicted (9.97453e-07%) linmin: converged after 4 iterations. iteration 646: trace = 2.449294072703007 (9.9739e-07% change) linmin: converged after 8 iterations. iteration 647: trace = 2.449294043251263 (1.20246e-06% change) linmin: converged after 11 iterations. iteration 648: trace = 2.449294029271162 (5.70781e-07% change) linmin: converged after 3 iterations. iteration 649: trace = 2.449294013416036 (6.47335e-07% change) linmin: converged after 8 iterations. iteration 650: trace = 2.449293987584822 (1.05464e-06% change) linmin: converged after 23 iterations. iteration 651: trace = 2.449293977593857 (4.07912e-07% change) linmin: converged after 6 iterations. iteration 652: trace = 2.449293962730324 (6.0685e-07% change) linmin: converged after 5 iterations. iteration 653: trace = 2.449293941985309 (8.46979e-07% change) linmin: converged after 7 iterations. iteration 654: trace = 2.449293933677706 (3.39184e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.44929392110984 (5.13122e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293900825863 (8.28156e-07% change) linmin: converged after 5 iterations. iteration 657: trace = 2.4492938883235 (5.10448e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.449293884458589 (1.57797e-07% change) large trace change predicted (3.37544e-07%) linmin: converged after 3 iterations. iteration 659: trace = 2.449293876190878 (3.37555e-07% change) linmin: converged after 16 iterations. iteration 660: trace = 2.449293869909519 (2.56456e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.449293867869985 (8.32703e-08% change) large trace change predicted (4.08241e-07%) linmin: converged after 5 iterations. iteration 662: trace = 2.449293857870778 (4.08249e-07% change) linmin: converged after 14 iterations. iteration 663: trace = 2.449293850719148 (2.91987e-07% change) linmin: converged after 7 iterations. iteration 664: trace = 2.449293841848518 (3.62171e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293828972584 (5.257e-07% change) linmin: converged after 7 iterations. iteration 666: trace = 2.449293810598203 (7.50191e-07% change) linmin: converged after 4 iterations. iteration 667: trace = 2.449293805366179 (2.13614e-07% change) large trace change predicted (5.67416e-07%) linmin: converged after 4 iterations. iteration 668: trace = 2.449293791468763 (5.67405e-07% change) linmin: converged after 7 iterations. iteration 669: trace = 2.449293786317807 (2.10304e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.449293778711972 (3.10532e-07% change) linmin: converged after 5 iterations. iteration 671: trace = 2.44929376379484 (6.09038e-07% change) linmin: converged after 7 iterations. iteration 672: trace = 2.449293757514246 (2.56425e-07% change) linmin: converged after 5 iterations. iteration 673: trace = 2.449293745304101 (4.98517e-07% change) linmin: converged after 4 iterations. iteration 674: trace = 2.449293732221965 (5.34119e-07% change) linmin: converged after 2 iterations. iteration 675: trace = 2.449293725323773 (2.8164e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.449293716793873 (3.4826e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.449293707915844 (3.62473e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.449293703961543 (1.61447e-07% change) large trace change predicted (3.49838e-07%) linmin: converged after 4 iterations. iteration 679: trace = 2.449293695392956 (3.49839e-07% change) linmin: converged after 5 iterations. iteration 680: trace = 2.449293687842716 (3.08262e-07% change) linmin: converged after 4 iterations. iteration 681: trace = 2.449293681524722 (2.57952e-07% change) linmin: converged after 6 iterations. iteration 682: trace = 2.449293678071591 (1.40985e-07% change) large trace change predicted (6.05586e-07%) linmin: converged after 21 iterations. iteration 683: trace = 2.449293663239302 (6.05574e-07% change) linmin: converged after 24 iterations. iteration 684: trace = 2.449293652236951 (4.49205e-07% change) linmin: converged after 4 iterations. iteration 685: trace = 2.449293646323278 (2.41444e-07% change) linmin: converged after 5 iterations. iteration 686: trace = 2.449293635983955 (4.22135e-07% change) linmin: converged after 5 iterations. iteration 687: trace = 2.449293627794947 (3.34342e-07% change) linmin: converged after 5 iterations. iteration 688: trace = 2.449293623644603 (1.69451e-07% change) large trace change predicted (4.38648e-07%) linmin: converged after 7 iterations. iteration 689: trace = 2.449293612900976 (4.38642e-07% change) linmin: converged after 13 iterations. iteration 690: trace = 2.4492936090863 (1.55746e-07% change) linmin: converged after 6 iterations. iteration 691: trace = 2.44929360478711 (1.75528e-07% change) large trace change predicted (4.11514e-07%) linmin: converged after 4 iterations. iteration 692: trace = 2.449293594707965 (4.11512e-07% change) linmin: converged after 4 iterations. iteration 693: trace = 2.449293589640511 (2.06895e-07% change) linmin: converged after 4 iterations. iteration 694: trace = 2.449293581306646 (3.40256e-07% change) linmin: converged after 5 iterations. iteration 695: trace = 2.449293573071303 (3.36233e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.449293568582555 (1.83267e-07% change) linmin: converged after 16 iterations. iteration 697: trace = 2.449293566901849 (6.862e-08% change) linmin: converged after 10 iterations. iteration 698: trace = 2.449293563861224 (1.24143e-07% change) large trace change predicted (4.04755e-07%) linmin: converged after 7 iterations. iteration 699: trace = 2.449293553947384 (4.04763e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.449293549843402 (1.67558e-07% change) linmin: converged after 7 iterations. iteration 701: trace = 2.449293544624058 (2.13096e-07% change) linmin: converged after 11 iterations. iteration 702: trace = 2.449293542453189 (8.86325e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.449293539399513 (1.24676e-07% change) linmin: converged after 13 iterations. iteration 704: trace = 2.449293534185063 (2.12896e-07% change) linmin: converged after 10 iterations. iteration 705: trace = 2.449293530651018 (1.44288e-07% change) linmin: converged after 2 iterations. iteration 706: trace = 2.449293525987365 (1.90408e-07% change) linmin: converged after 4 iterations. iteration 707: trace = 2.449293517608643 (3.42087e-07% change) linmin: converged after 4 iterations. iteration 708: trace = 2.449293513187471 (1.80508e-07% change) linmin: converged after 4 iterations. iteration 709: trace = 2.449293507340068 (2.38738e-07% change) linmin: converged after 4 iterations. iteration 710: trace = 2.449293499349271 (3.26249e-07% change) linmin: converged after 4 iterations. iteration 711: trace = 2.449293493680944 (2.31427e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293490082315 (1.46925e-07% change) large trace change predicted (3.02069e-07%) linmin: converged after 3 iterations. iteration 713: trace = 2.449293482683714 (3.02071e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.449293477309258 (2.19429e-07% change) linmin: converged after 2 iterations. iteration 715: trace = 2.449293471496924 (2.37307e-07% change) large trace change predicted (5.31263e-07%) linmin: converged after 9 iterations. iteration 716: trace = 2.449293458484472 (5.31274e-07% change) linmin: converged after 3 iterations. iteration 717: trace = 2.449293453201053 (2.15712e-07% change) linmin: converged after 3 iterations. iteration 718: trace = 2.44929344858221 (1.88579e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.449293443705484 (1.99107e-07% change) linmin: converged after 13 iterations. iteration 720: trace = 2.449293441230563 (1.01046e-07% change) large trace change predicted (2.1194e-07%) linmin: converged after 7 iterations. iteration 721: trace = 2.449293436039483 (2.11942e-07% change) linmin: converged after 4 iterations. iteration 722: trace = 2.44929342888598 (2.92064e-07% change) linmin: converged after 7 iterations. iteration 723: trace = 2.449293427184175 (6.94815e-08% change) large trace change predicted (2.05972e-07%) linmin: converged after 7 iterations. iteration 724: trace = 2.449293422139264 (2.05974e-07% change) linmin: converged after 12 iterations. iteration 725: trace = 2.4492934139226 (3.35471e-07% change) linmin: converged after 4 iterations. iteration 726: trace = 2.44929341143039 (1.01752e-07% change) large trace change predicted (4.70525e-07%) linmin: converged after 5 iterations. iteration 727: trace = 2.449293399905522 (4.70538e-07% change) linmin: converged after 13 iterations. iteration 728: trace = 2.449293391298862 (3.51394e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.449293387752802 (1.44779e-07% change) linmin: converged after 4 iterations. iteration 730: trace = 2.449293381866459 (2.40328e-07% change) linmin: converged after 4 iterations. iteration 731: trace = 2.44929337518319 (2.72865e-07% change) linmin: converged after 4 iterations. iteration 732: trace = 2.449293369475773 (2.33023e-07% change) linmin: converged after 10 iterations. iteration 733: trace = 2.449293366437934 (1.24029e-07% change) large trace change predicted (4.46222e-07%) linmin: converged after 25 iterations. iteration 734: trace = 2.449293355508436 (4.46231e-07% change) linmin: converged after 5 iterations. iteration 735: trace = 2.449293352924896 (1.05481e-07% change) large trace change predicted (2.19918e-07%) linmin: converged after 4 iterations. iteration 736: trace = 2.449293347538447 (2.19918e-07% change) linmin: converged after 7 iterations. iteration 737: trace = 2.449293339514216 (3.27614e-07% change) linmin: converged after 8 iterations. iteration 738: trace = 2.449293336606357 (1.18722e-07% change) linmin: converged after 5 iterations. iteration 739: trace = 2.449293333287382 (1.35507e-07% change) linmin: converged after 17 iterations. iteration 740: trace = 2.449293329809847 (1.41981e-07% change) linmin: converged after 11 iterations. iteration 741: trace = 2.44929332799691 (7.40188e-08% change) linmin: converged after 9 iterations. iteration 742: trace = 2.44929332502092 (1.21504e-07% change) large trace change predicted (3.22782e-07%) linmin: converged after 4 iterations. iteration 743: trace = 2.449293317115576 (3.2276e-07% change) linmin: converged after 5 iterations. iteration 744: trace = 2.449293312967176 (1.69371e-07% change) linmin: converged after 5 iterations. iteration 745: trace = 2.449293305406512 (3.08688e-07% change) linmin: converged after 12 iterations. iteration 746: trace = 2.449293297639209 (3.17124e-07% change) linmin: converged after 7 iterations. iteration 747: trace = 2.449293293420153 (1.72256e-07% change) linmin: converged after 5 iterations. iteration 748: trace = 2.449293285400157 (3.27441e-07% change) linmin: converged after 8 iterations. iteration 749: trace = 2.449293275580495 (4.00918e-07% change) linmin: converged after 20 iterations. iteration 750: trace = 2.449293272340727 (1.32274e-07% change) large trace change predicted (3.57017e-07%) linmin: converged after 3 iterations. iteration 751: trace = 2.449293263596094 (3.57027e-07% change) linmin: converged after 4 iterations. iteration 752: trace = 2.449293253170681 (4.2565e-07% change) linmin: converged after 6 iterations. iteration 753: trace = 2.449293242989935 (4.15661e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293239614899 (1.37796e-07% change) large trace change predicted (4.06023e-07%) linmin: converged after 7 iterations. iteration 755: trace = 2.449293229669668 (4.06045e-07% change) linmin: converged after 5 iterations. iteration 756: trace = 2.449293222471034 (2.93907e-07% change) linmin: converged after 9 iterations. iteration 757: trace = 2.449293220179416 (9.35624e-08% change) linmin: converged after 16 iterations. iteration 758: trace = 2.44929321623213 (1.6116e-07% change) linmin: converged after 7 iterations. iteration 759: trace = 2.449293210421075 (2.37254e-07% change) linmin: converged after 2 iterations. iteration 760: trace = 2.449293209173526 (5.09351e-08% change) large trace change predicted (1.69447e-07%) linmin: converged after 4 iterations. iteration 761: trace = 2.449293205023268 (1.69447e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.449293200573381 (1.8168e-07% change) linmin: converged after 8 iterations. iteration 763: trace = 2.449293198909244 (6.79436e-08% change) large trace change predicted (3.42756e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.449293190514244 (3.42752e-07% change) linmin: converged after 6 iterations. iteration 765: trace = 2.44929318564445 (1.98824e-07% change) linmin: converged after 5 iterations. iteration 766: trace = 2.449293179038198 (2.69721e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.44929317052637 (3.47522e-07% change) linmin: converged after 10 iterations. iteration 768: trace = 2.449293162562272 (3.25159e-07% change) linmin: converged after 4 iterations. iteration 769: trace = 2.449293158896903 (1.4965e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.449293155773415 (1.27526e-07% change) linmin: converged after 7 iterations. iteration 771: trace = 2.449293150607379 (2.10919e-07% change) linmin: converged after 13 iterations. iteration 772: trace = 2.449293142523675 (3.30042e-07% change) linmin: converged after 5 iterations. iteration 773: trace = 2.449293138565866 (1.6159e-07% change) linmin: converged after 6 iterations. iteration 774: trace = 2.449293132614951 (2.42965e-07% change) linmin: converged after 18 iterations. iteration 775: trace = 2.449293125363522 (2.96062e-07% change) linmin: converged after 4 iterations. iteration 776: trace = 2.449293123662087 (6.94664e-08% change) large trace change predicted (1.81016e-07%) linmin: converged after 10 iterations. iteration 777: trace = 2.449293119228443 (1.81017e-07% change) linmin: converged after 5 iterations. iteration 778: trace = 2.449293116369617 (1.1672e-07% change) linmin: converged after 6 iterations. iteration 779: trace = 2.449293115131071 (5.05675e-08% change) large trace change predicted (1.29738e-07%) linmin: converged after 4 iterations. iteration 780: trace = 2.449293111953422 (1.29737e-07% change) linmin: converged after 8 iterations. iteration 781: trace = 2.44929310787554 (1.66492e-07% change) linmin: converged after 4 iterations. iteration 782: trace = 2.449293105975882 (7.75595e-08% change) large trace change predicted (1.59093e-07%) linmin: converged after 19 iterations. iteration 783: trace = 2.449293102079298 (1.5909e-07% change) linmin: converged after 7 iterations. iteration 784: trace = 2.449293096471949 (2.28937e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.449293095221712 (5.10448e-08% change) large trace change predicted (3.46107e-07%) linmin: converged after 5 iterations. iteration 786: trace = 2.449293086744852 (3.46094e-07% change) linmin: converged after 5 iterations. iteration 787: trace = 2.449293080344586 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 788: trace = 2.449293077298137 (1.24381e-07% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449293072436863 (1.98477e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449293066732914 (2.32881e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.449293065126712 (6.55782e-08% change) large trace change predicted (2.2068e-07%) linmin: converged after 14 iterations. iteration 792: trace = 2.44929305972152 (2.20684e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.449293055253693 (1.82413e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.449293053751018 (6.13514e-08% change) large trace change predicted (2.02203e-07%) linmin: converged after 10 iterations. iteration 795: trace = 2.449293048798232 (2.02213e-07% change) linmin: converged after 8 iterations. iteration 796: trace = 2.449293044865573 (1.60563e-07% change) linmin: converged after 4 iterations. iteration 797: trace = 2.449293044131979 (2.99513e-08% change) large trace change predicted (8.35775e-08%) linmin: converged after 8 iterations. iteration 798: trace = 2.449293042084904 (8.35782e-08% change) linmin: converged after 6 iterations. iteration 799: trace = 2.449293040345924 (7.09993e-08% change) linmin: converged after 4 iterations. iteration 800: trace = 2.449293038891493 (5.93817e-08% change) linmin: converged after 4 iterations. iteration 801: trace = 2.449293037754171 (4.64347e-08% change) large trace change predicted (1.27328e-07%) linmin: converged after 4 iterations. iteration 802: trace = 2.449293034635569 (1.27327e-07% change) linmin: converged after 6 iterations. iteration 803: trace = 2.449293032502916 (8.70722e-08% change) linmin: converged after 6 iterations. iteration 804: trace = 2.449293030115697 (9.74656e-08% change) linmin: converged after 5 iterations. iteration 805: trace = 2.449293026675586 (1.40453e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.449293023156453 (1.4368e-07% change) linmin: converged after 13 iterations. iteration 807: trace = 2.449293021782208 (5.61078e-08% change) large trace change predicted (1.28194e-07%) linmin: converged after 4 iterations. iteration 808: trace = 2.449293018642376 (1.28193e-07% change) linmin: converged after 8 iterations. iteration 809: trace = 2.44929301664781 (8.14343e-08% change) linmin: converged after 7 iterations. iteration 810: trace = 2.449293015417159 (5.02451e-08% change) large trace change predicted (1.70074e-07%) linmin: converged after 5 iterations. iteration 811: trace = 2.449293011251604 (1.70072e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.449293009603454 (6.72909e-08% change) large trace change predicted (1.80751e-07%) linmin: converged after 18 iterations. iteration 813: trace = 2.449293005176441 (1.80747e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.449293002643837 (1.03401e-07% change) linmin: converged after 4 iterations. iteration 815: trace = 2.449293001438736 (4.9202e-08% change) linmin: converged after 7 iterations. iteration 816: trace = 2.449292999562738 (7.65935e-08% change) linmin: converged after 4 iterations. iteration 817: trace = 2.449292997500478 (8.41982e-08% change) linmin: converged after 4 iterations. iteration 818: trace = 2.449292996399993 (4.49307e-08% change) linmin: converged after 27 iterations. iteration 819: trace = 2.449292994273609 (8.68163e-08% change) linmin: converged after 3 iterations. iteration 820: trace = 2.449292992548661 (7.04264e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.449292991441464 (4.52048e-08% change) linmin: converged after 4 iterations. iteration 822: trace = 2.449292989855373 (6.47571e-08% change) large trace change predicted (1.67332e-07%) linmin: converged after 4 iterations. iteration 823: trace = 2.44929298575697 (1.6733e-07% change) linmin: converged after 21 iterations. iteration 824: trace = 2.449292984574206 (4.829e-08% change) large trace change predicted (1.42424e-07%) linmin: converged after 4 iterations. iteration 825: trace = 2.44929298108586 (1.42423e-07% change) linmin: converged after 6 iterations. iteration 826: trace = 2.449292979088052 (8.15667e-08% change) linmin: converged after 6 iterations. iteration 827: trace = 2.449292977163728 (7.85665e-08% change) linmin: converged after 26 iterations. iteration 828: trace = 2.449292976428183 (3.00309e-08% change) large trace change predicted (1.20095e-07%) linmin: converged after 4 iterations. iteration 829: trace = 2.449292973486719 (1.20094e-07% change) linmin: converged after 4 iterations. iteration 830: trace = 2.449292972192163 (5.28543e-08% change) linmin: converged after 6 iterations. iteration 831: trace = 2.449292970723193 (5.99753e-08% change) linmin: converged after 4 iterations. iteration 832: trace = 2.449292968335265 (9.74946e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292967357183 (3.99332e-08% change) linmin: converged after 4 iterations. iteration 834: trace = 2.449292965724823 (6.66462e-08% change) linmin: converged after 7 iterations. iteration 835: trace = 2.449292964185271 (6.2857e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292962974555 (4.94312e-08% change) linmin: converged after 2 iterations. iteration 837: trace = 2.449292962718021 (1.04738e-08% change) large trace change predicted (4.88781e-08%) linmin: converged after 2 iterations. iteration 838: trace = 2.449292961520854 (4.88781e-08% change) large trace change predicted (1.62159e-07%) linmin: converged after 4 iterations. iteration 839: trace = 2.449292957549122 (1.62158e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292955480641 (8.44521e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.449292953501208 (8.08165e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.449292952673694 (3.37858e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.449292952307767 (1.49401e-08% change) large trace change predicted (4.81533e-08%) linmin: converged after 4 iterations. iteration 844: trace = 2.449292951128345 (4.81536e-08% change) linmin: converged after 4 iterations. iteration 845: trace = 2.449292949663648 (5.98008e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.449292948955786 (2.89007e-08% change) large trace change predicted (7.55369e-08%) linmin: converged after 8 iterations. iteration 847: trace = 2.449292947105672 (7.55366e-08% change) linmin: converged after 2 iterations. iteration 848: trace = 2.449292945135413 (8.04419e-08% change) linmin: converged after 8 iterations. iteration 849: trace = 2.449292944430868 (2.87652e-08% change) large trace change predicted (7.39297e-08%) linmin: converged after 4 iterations. iteration 850: trace = 2.449292942620093 (7.39305e-08% change) linmin: converged after 11 iterations. iteration 851: trace = 2.449292940967225 (6.74835e-08% change) linmin: converged after 9 iterations. iteration 852: trace = 2.449292940116263 (3.47432e-08% change) linmin: converged after 6 iterations. iteration 853: trace = 2.449292938636713 (6.04073e-08% change) linmin: converged after 7 iterations. iteration 854: trace = 2.449292937290211 (5.49751e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292936202343 (4.44156e-08% change) large trace change predicted (1.36472e-07%) linmin: converged after 13 iterations. iteration 856: trace = 2.44929293285969 (1.36474e-07% change) linmin: converged after 6 iterations. iteration 857: trace = 2.449292931009504 (7.55396e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292930209497 (3.26628e-08% change) linmin: converged after 5 iterations. iteration 859: trace = 2.449292928905255 (5.32497e-08% change) linmin: converged after 4 iterations. iteration 860: trace = 2.449292927223605 (6.86586e-08% change) linmin: converged after 23 iterations. iteration 861: trace = 2.449292926852483 (1.51522e-08% change) large trace change predicted (8.51977e-08%) linmin: converged after 7 iterations. iteration 862: trace = 2.449292924765728 (8.51983e-08% change) linmin: converged after 24 iterations. iteration 863: trace = 2.449292923840644 (3.77694e-08% change) linmin: converged after 12 iterations. iteration 864: trace = 2.449292923021269 (3.34535e-08% change) large trace change predicted (6.80216e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.44929292135521 (6.80221e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.449292919279107 (8.47634e-08% change) linmin: converged after 4 iterations. iteration 867: trace = 2.449292918295657 (4.01524e-08% change) linmin: converged after 4 iterations. iteration 868: trace = 2.449292916705062 (6.4941e-08% change) linmin: converged after 2 iterations. iteration 869: trace = 2.449292914389286 (9.45487e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.449292913812846 (2.3535e-08% change) large trace change predicted (7.48691e-08%) linmin: converged after 4 iterations. iteration 871: trace = 2.44929291197908 (7.48692e-08% change) linmin: converged after 4 iterations. iteration 872: trace = 2.449292910041533 (7.91063e-08% change) linmin: converged after 4 iterations. iteration 873: trace = 2.449292909573056 (1.91271e-08% change) large trace change predicted (8.75399e-08%) linmin: converged after 6 iterations. iteration 874: trace = 2.449292907428935 (8.75404e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292905594574 (7.48935e-08% change) linmin: converged after 13 iterations. iteration 876: trace = 2.449292903749199 (7.53432e-08% change) linmin: converged after 4 iterations. iteration 877: trace = 2.449292903103867 (2.63477e-08% change) large trace change predicted (7.26034e-08%) linmin: converged after 9 iterations. iteration 878: trace = 2.449292901325583 (7.2604e-08% change) linmin: converged after 4 iterations. iteration 879: trace = 2.449292900759803 (2.30997e-08% change) linmin: converged after 18 iterations. iteration 880: trace = 2.449292900270914 (1.99604e-08% change) large trace change predicted (5.09804e-08%) linmin: converged after 6 iterations. iteration 881: trace = 2.449292899022268 (5.09799e-08% change) linmin: converged after 6 iterations. iteration 882: trace = 2.449292898500074 (2.13202e-08% change) large trace change predicted (4.30206e-08%) linmin: converged after 7 iterations. iteration 883: trace = 2.449292897446382 (4.30203e-08% change) linmin: converged after 10 iterations. iteration 884: trace = 2.449292895882301 (6.38584e-08% change) linmin: converged after 8 iterations. iteration 885: trace = 2.449292893891446 (8.12828e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292893246475 (2.6333e-08% change) large trace change predicted (1.13582e-07%) linmin: converged after 5 iterations. iteration 887: trace = 2.4492928904646 (1.13579e-07% change) linmin: converged after 4 iterations. iteration 888: trace = 2.449292889191263 (5.19879e-08% change) linmin: converged after 4 iterations. iteration 889: trace = 2.449292887493038 (6.93353e-08% change) linmin: converged after 3 iterations. iteration 890: trace = 2.449292885432147 (8.41423e-08% change) linmin: converged after 7 iterations. iteration 891: trace = 2.449292884242718 (4.85622e-08% change) linmin: converged after 2 iterations. iteration 892: trace = 2.449292882212825 (8.28767e-08% change) linmin: converged after 15 iterations. iteration 893: trace = 2.44929287949871 (1.10812e-07% change) linmin: converged after 7 iterations. iteration 894: trace = 2.449292878332912 (4.75974e-08% change) linmin: converged after 10 iterations. iteration 895: trace = 2.449292876426453 (7.78371e-08% change) linmin: converged after 5 iterations. iteration 896: trace = 2.449292874865973 (6.37114e-08% change) linmin: converged after 7 iterations. iteration 897: trace = 2.44929287369392 (4.78527e-08% change) linmin: converged after 7 iterations. iteration 898: trace = 2.449292872522844 (4.78128e-08% change) linmin: converged after 5 iterations. iteration 899: trace = 2.449292870436456 (8.51833e-08% change) linmin: converged after 4 iterations. iteration 900: trace = 2.449292869975906 (1.88034e-08% change) linmin: converged after 18 iterations. iteration 901: trace = 2.449292869065117 (3.71858e-08% change) linmin: converged after 4 iterations. iteration 902: trace = 2.449292868029092 (4.22989e-08% change) linmin: converged after 9 iterations. iteration 903: trace = 2.449292866235505 (7.32288e-08% change) linmin: converged after 5 iterations. iteration 904: trace = 2.449292865349063 (3.61918e-08% change) linmin: converged after 8 iterations. iteration 905: trace = 2.449292864325572 (4.17872e-08% change) large trace change predicted (1.06644e-07%) linmin: converged after 4 iterations. iteration 906: trace = 2.449292861713657 (1.0664e-07% change) linmin: converged after 18 iterations. iteration 907: trace = 2.449292860069305 (6.71358e-08% change) linmin: converged after 7 iterations. iteration 908: trace = 2.449292858708707 (5.55507e-08% change) linmin: converged after 9 iterations. iteration 909: trace = 2.449292856394537 (9.44832e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.449292855256019 (4.64835e-08% change) linmin: converged after 2 iterations. iteration 911: trace = 2.449292854125643 (4.61511e-08% change) linmin: converged after 16 iterations. iteration 912: trace = 2.449292852617595 (6.15707e-08% change) linmin: converged after 6 iterations. iteration 913: trace = 2.449292851802818 (3.32658e-08% change) large trace change predicted (9.66447e-08%) linmin: converged after 3 iterations. iteration 914: trace = 2.44929284943564 (9.66474e-08% change) linmin: converged after 5 iterations. iteration 915: trace = 2.449292847839504 (6.51672e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292847443413 (1.61717e-08% change) large trace change predicted (5.1479e-08%) linmin: converged after 3 iterations. iteration 917: trace = 2.449292846182528 (5.14795e-08% change) linmin: converged after 4 iterations. iteration 918: trace = 2.449292845505536 (2.76403e-08% change) linmin: converged after 4 iterations. iteration 919: trace = 2.449292845246027 (1.05953e-08% change) large trace change predicted (4.18903e-08%) linmin: converged after 3 iterations. iteration 920: trace = 2.449292844220009 (4.18904e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292843608827 (2.49534e-08% change) linmin: converged after 4 iterations. iteration 922: trace = 2.449292842999063 (2.48955e-08% change) linmin: converged after 4 iterations. iteration 923: trace = 2.449292841870799 (4.60649e-08% change) linmin: converged after 7 iterations. iteration 924: trace = 2.449292840368853 (6.13216e-08% change) linmin: converged after 5 iterations. iteration 925: trace = 2.449292839981784 (1.58033e-08% change) large trace change predicted (7.20968e-08%) linmin: converged after 10 iterations. iteration 926: trace = 2.449292838215946 (7.20958e-08% change) linmin: converged after 11 iterations. iteration 927: trace = 2.449292837097989 (4.56441e-08% change) linmin: converged after 4 iterations. iteration 928: trace = 2.449292836474976 (2.54365e-08% change) large trace change predicted (7.18894e-08%) linmin: converged after 4 iterations. iteration 929: trace = 2.44929283471421 (7.18888e-08% change) linmin: converged after 25 iterations. iteration 930: trace = 2.449292833801113 (3.728e-08% change) linmin: converged after 2 iterations. iteration 931: trace = 2.449292832899586 (3.68076e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292831586879 (5.35954e-08% change) linmin: converged after 6 iterations. iteration 933: trace = 2.449292830194754 (5.68378e-08% change) linmin: converged after 4 iterations. iteration 934: trace = 2.44929282955599 (2.60795e-08% change) linmin: converged after 4 iterations. iteration 935: trace = 2.449292828858969 (2.8458e-08% change) linmin: converged after 16 iterations. iteration 936: trace = 2.449292827825604 (4.21903e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.44929282753314 (1.19408e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.44929282712635 (1.66084e-08% change) linmin: converged after 4 iterations. iteration 939: trace = 2.449292826676441 (1.8369e-08% change) linmin: converged after 5 iterations. iteration 940: trace = 2.449292826105154 (2.33246e-08% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292825971422 (5.46001e-09% change) large trace change predicted (3.44807e-08%) linmin: converged after 4 iterations. iteration 942: trace = 2.449292825126887 (3.44808e-08% change) linmin: converged after 4 iterations. iteration 943: trace = 2.449292824609765 (2.11131e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292824129395 (1.96126e-08% change) linmin: converged after 2 iterations. iteration 945: trace = 2.449292823271215 (3.50379e-08% change) linmin: converged after 4 iterations. iteration 946: trace = 2.44929282244243 (3.38377e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.449292822129306 (1.27843e-08% change) large trace change predicted (2.88657e-08%) linmin: converged after 4 iterations. iteration 948: trace = 2.449292821422293 (2.8866e-08% change) linmin: converged after 21 iterations. iteration 949: trace = 2.449292820894962 (2.15299e-08% change) linmin: converged after 7 iterations. iteration 950: trace = 2.449292820594631 (1.22619e-08% change) large trace change predicted (4.6044e-08%) linmin: converged after 9 iterations. iteration 951: trace = 2.44929281946689 (4.60436e-08% change) linmin: converged after 7 iterations. iteration 952: trace = 2.44929281900671 (1.87883e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.449292818210967 (3.24887e-08% change) linmin: converged after 15 iterations. iteration 954: trace = 2.449292817519008 (2.82514e-08% change) linmin: converged after 27 iterations. iteration 955: trace = 2.4492928170971 (1.72257e-08% change) linmin: converged after 5 iterations. iteration 956: trace = 2.449292816779777 (1.29557e-08% change) linmin: converged after 22 iterations. iteration 957: trace = 2.449292816164306 (2.51285e-08% change) linmin: converged after 6 iterations. iteration 958: trace = 2.449292815610233 (2.26217e-08% change) linmin: converged after 16 iterations. iteration 959: trace = 2.449292815331677 (1.13729e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.449292814892051 (1.79491e-08% change) linmin: converged after 7 iterations. iteration 961: trace = 2.449292814605713 (1.16906e-08% change) linmin: converged after 6 iterations. iteration 962: trace = 2.449292814229989 (1.53401e-08% change) large trace change predicted (3.86937e-08%) linmin: converged after 5 iterations. iteration 963: trace = 2.449292813282274 (3.86934e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292812679545 (2.46083e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.449292812336987 (1.3986e-08% change) linmin: converged after 4 iterations. iteration 966: trace = 2.449292811710514 (2.55777e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292811086058 (2.54954e-08% change) linmin: converged after 4 iterations. iteration 968: trace = 2.449292810770833 (1.287e-08% change) linmin: converged after 26 iterations. iteration 969: trace = 2.449292810313644 (1.86662e-08% change) linmin: converged after 3 iterations. iteration 970: trace = 2.449292809827484 (1.9849e-08% change) linmin: converged after 4 iterations. iteration 971: trace = 2.449292809584252 (9.93069e-09% change) large trace change predicted (2.31525e-08%) linmin: converged after 4 iterations. iteration 972: trace = 2.449292809017183 (2.31523e-08% change) linmin: converged after 4 iterations. iteration 973: trace = 2.449292808484299 (2.17566e-08% change) linmin: converged after 3 iterations. iteration 974: trace = 2.449292808336993 (6.01423e-09% change) large trace change predicted (1.47503e-08%) linmin: converged after 14 iterations. iteration 975: trace = 2.449292807975719 (1.47501e-08% change) linmin: converged after 4 iterations. iteration 976: trace = 2.449292807650016 (1.32978e-08% change) linmin: converged after 5 iterations. iteration 977: trace = 2.449292807537553 (4.59167e-09% change) linmin: converged after 10 iterations. iteration 978: trace = 2.449292807329882 (8.47881e-09% change) large trace change predicted (2.7094e-08%) linmin: converged after 12 iterations. iteration 979: trace = 2.449292806666266 (2.70942e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.449292806423259 (9.92153e-09% change) linmin: converged after 14 iterations. iteration 981: trace = 2.449292806058521 (1.48915e-08% change) linmin: converged after 18 iterations. iteration 982: trace = 2.449292805814764 (9.95214e-09% change) linmin: converged after 8 iterations. iteration 983: trace = 2.449292805732439 (3.36118e-09% change) large trace change predicted (1.14546e-08%) linmin: converged after 24 iterations. iteration 984: trace = 2.449292805451893 (1.14542e-08% change) linmin: converged after 24 iterations. iteration 985: trace = 2.449292805039049 (1.68556e-08% change) linmin: converged after 8 iterations. iteration 986: trace = 2.449292804911063 (5.22543e-09% change) large trace change predicted (1.58518e-08%) linmin: converged after 2 iterations. iteration 987: trace = 2.449292804522814 (1.58515e-08% change) linmin: converged after 6 iterations. iteration 988: trace = 2.449292803894387 (2.56575e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292803718584 (7.17772e-09% change) large trace change predicted (1.78453e-08%) linmin: converged after 6 iterations. iteration 990: trace = 2.449292803281509 (1.7845e-08% change) linmin: converged after 4 iterations. iteration 991: trace = 2.44929280283431 (1.82583e-08% change) linmin: converged after 8 iterations. iteration 992: trace = 2.449292802667793 (6.79858e-09% change) large trace change predicted (1.37655e-08%) linmin: converged after 2 iterations. iteration 993: trace = 2.449292802330632 (1.37656e-08% change) linmin: converged after 4 iterations. iteration 994: trace = 2.449292801797521 (2.17659e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292801640192 (6.42342e-09% change) large trace change predicted (3.15823e-08%) linmin: converged after 4 iterations. iteration 996: trace = 2.44929280086663 (3.15831e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.449292800429576 (1.78441e-08% change) linmin: converged after 4 iterations. iteration 998: trace = 2.449292800242203 (7.65006e-09% change) linmin: converged after 8 iterations. iteration 999: trace = 2.449292799904296 (1.37961e-08% change) linmin: converged after 9 iterations. iteration 1000: trace = 2.44929279946142 (1.80818e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292799326408 (5.5123e-09% change) large trace change predicted (1.34332e-08%) linmin: converged after 4 iterations. iteration 1002: trace = 2.449292798997385 (1.34334e-08% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.449292798613322 (1.56806e-08% change) linmin: converged after 3 iterations. iteration 1004: trace = 2.449292798464478 (6.07702e-09% change) large trace change predicted (2.09537e-08%) linmin: converged after 5 iterations. iteration 1005: trace = 2.449292797951252 (2.0954e-08% change) linmin: converged after 20 iterations. iteration 1006: trace = 2.449292797381551 (2.32598e-08% change) linmin: converged after 4 iterations. iteration 1007: trace = 2.449292796870674 (2.08581e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.449292796580985 (1.18274e-08% change) linmin: converged after 6 iterations. iteration 1009: trace = 2.449292796168373 (1.68462e-08% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.449292795678887 (1.99848e-08% change) linmin: converged after 6 iterations. iteration 1011: trace = 2.449292795563497 (4.71117e-09% change) large trace change predicted (1.85171e-08%) linmin: converged after 4 iterations. iteration 1012: trace = 2.449292795109968 (1.85167e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.4492927947367 (1.52398e-08% change) linmin: converged after 7 iterations. iteration 1014: trace = 2.449292794558322 (7.28286e-09% change) large trace change predicted (2.06243e-08%) linmin: converged after 3 iterations. iteration 1015: trace = 2.449292794053167 (2.06245e-08% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.449292793573989 (1.9564e-08% change) linmin: converged after 14 iterations. iteration 1017: trace = 2.44929279341542 (6.47404e-09% change) large trace change predicted (1.31714e-08%) linmin: converged after 8 iterations. iteration 1018: trace = 2.449292793092816 (1.31713e-08% change) linmin: converged after 6 iterations. iteration 1019: trace = 2.44929279285575 (9.67895e-09% change) linmin: converged after 5 iterations. iteration 1020: trace = 2.449292792765412 (3.68835e-09% change) large trace change predicted (1.44221e-08%) linmin: converged after 22 iterations. iteration 1021: trace = 2.449292792412176 (1.44219e-08% change) linmin: converged after 6 iterations. iteration 1022: trace = 2.449292792190152 (9.06481e-09% change) linmin: converged after 6 iterations. iteration 1023: trace = 2.449292792005979 (7.51944e-09% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.449292791645305 (1.47257e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292791036194 (2.48689e-08% change) linmin: converged after 3 iterations. iteration 1026: trace = 2.449292790816233 (8.98059e-09% change) large trace change predicted (2.20078e-08%) linmin: converged after 4 iterations. iteration 1027: trace = 2.449292790277208 (2.20073e-08% change) linmin: converged after 11 iterations. iteration 1028: trace = 2.449292789744349 (2.17556e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.449292789305356 (1.79233e-08% change) linmin: converged after 21 iterations. iteration 1030: trace = 2.449292789092781 (8.67903e-09% change) large trace change predicted (3.18813e-08%) linmin: converged after 11 iterations. iteration 1031: trace = 2.449292788311925 (3.18809e-08% change) linmin: converged after 4 iterations. iteration 1032: trace = 2.449292787998503 (1.27964e-08% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.44929278750187 (2.02766e-08% change) linmin: converged after 7 iterations. iteration 1034: trace = 2.449292786873697 (2.56471e-08% change) linmin: converged after 5 iterations. iteration 1035: trace = 2.449292786715069 (6.47645e-09% change) large trace change predicted (1.55534e-08%) linmin: converged after 3 iterations. iteration 1036: trace = 2.449292786334116 (1.55536e-08% change) linmin: converged after 4 iterations. iteration 1037: trace = 2.449292785859925 (1.93603e-08% change) linmin: converged after 21 iterations. iteration 1038: trace = 2.449292785677559 (7.44566e-09% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292785337943 (1.38659e-08% change) linmin: converged after 17 iterations. iteration 1040: trace = 2.449292785108207 (9.3797e-09% change) linmin: converged after 12 iterations. iteration 1041: trace = 2.449292784934804 (7.07972e-09% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.449292784688489 (1.00566e-08% change) linmin: converged after 5 iterations. iteration 1043: trace = 2.44929278423112 (1.86735e-08% change) linmin: converged after 6 iterations. iteration 1044: trace = 2.449292783945153 (1.16755e-08% change) linmin: converged after 4 iterations. iteration 1045: trace = 2.449292783783144 (6.61452e-09% change) large trace change predicted (2.74849e-08%) linmin: converged after 4 iterations. iteration 1046: trace = 2.449292783109964 (2.74847e-08% change) linmin: converged after 4 iterations. iteration 1047: trace = 2.449292782660475 (1.83518e-08% change) linmin: converged after 3 iterations. iteration 1048: trace = 2.449292782363245 (1.21353e-08% change) large trace change predicted (2.51981e-08%) linmin: converged after 4 iterations. iteration 1049: trace = 2.449292781746079 (2.51977e-08% change) resetting CG direction... linmin: converged after 8 iterations. iteration 1050: trace = 2.449292781303787 (1.80579e-08% change) linmin: converged after 20 iterations. iteration 1051: trace = 2.449292781142167 (6.59864e-09% change) large trace change predicted (1.54757e-08%) linmin: converged after 6 iterations. iteration 1052: trace = 2.449292780763119 (1.54758e-08% change) linmin: converged after 5 iterations. iteration 1053: trace = 2.449292780290864 (1.92813e-08% change) linmin: converged after 6 iterations. iteration 1054: trace = 2.449292780048172 (9.90868e-09% change) linmin: converged after 6 iterations. iteration 1055: trace = 2.449292779598003 (1.83795e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.449292779386901 (8.61889e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292779265976 (4.93714e-09% change) large trace change predicted (1.08535e-08%) linmin: converged after 11 iterations. iteration 1058: trace = 2.449292779000138 (1.08537e-08% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.44929277884425 (6.36462e-09% change) linmin: converged after 4 iterations. iteration 1060: trace = 2.449292778689971 (6.29893e-09% change) linmin: converged after 22 iterations. iteration 1061: trace = 2.449292778455525 (9.57198e-09% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.449292778191157 (1.07936e-08% change) linmin: converged after 3 iterations. iteration 1063: trace = 2.449292778109933 (3.31622e-09% change) large trace change predicted (1.84448e-08%) linmin: converged after 4 iterations. iteration 1064: trace = 2.449292777658169 (1.84447e-08% change) linmin: converged after 15 iterations. iteration 1065: trace = 2.449292777379817 (1.13646e-08% change) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292777151046 (9.3403e-09% change) linmin: converged after 2 iterations. iteration 1067: trace = 2.449292776804879 (1.41333e-08% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.44929277652018 (1.16237e-08% change) linmin: converged after 22 iterations. iteration 1069: trace = 2.449292776320061 (8.1705e-09% change) linmin: converged after 16 iterations. iteration 1070: trace = 2.449292775950348 (1.50947e-08% change) linmin: converged after 23 iterations. iteration 1071: trace = 2.449292775752471 (8.07896e-09% change) linmin: converged after 6 iterations. iteration 1072: trace = 2.449292775608432 (5.88084e-09% change) large trace change predicted (1.39718e-08%) linmin: converged after 21 iterations. iteration 1073: trace = 2.449292775266217 (1.3972e-08% change) linmin: converged after 5 iterations. iteration 1074: trace = 2.449292775078889 (7.64825e-09% change) linmin: converged after 6 iterations. iteration 1075: trace = 2.449292774867188 (8.64335e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292774605071 (1.07018e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.449292774551771 (2.17612e-09% change) large trace change predicted (5.08837e-09%) linmin: converged after 12 iterations. iteration 1078: trace = 2.44929277442714 (5.08845e-09% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.449292774304397 (5.01139e-09% change) linmin: converged after 18 iterations. iteration 1080: trace = 2.449292774132976 (6.9988e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.44929277406975 (2.58139e-09% change) large trace change predicted (5.22073e-09%) linmin: converged after 3 iterations. iteration 1082: trace = 2.44929277394188 (5.22068e-09% change) linmin: converged after 5 iterations. iteration 1083: trace = 2.449292773772206 (6.92749e-09% change) linmin: converged after 7 iterations. iteration 1084: trace = 2.449292773539498 (9.50103e-09% change) linmin: converged after 10 iterations. iteration 1085: trace = 2.449292773438308 (4.13139e-09% change) large trace change predicted (9.90321e-09%) linmin: converged after 4 iterations. iteration 1086: trace = 2.44929277319575 (9.90317e-09% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.449292773110681 (3.47322e-09% change) linmin: converged after 10 iterations. iteration 1088: trace = 2.449292773017951 (3.786e-09% change) large trace change predicted (8.54352e-09%) linmin: converged after 12 iterations. iteration 1089: trace = 2.44929277280868 (8.54413e-09% change) linmin: converged after 12 iterations. iteration 1090: trace = 2.449292772732063 (3.12812e-09% change) large trace change predicted (9.46312e-09%) linmin: converged after 19 iterations. iteration 1091: trace = 2.449292772500288 (9.46296e-09% change) linmin: converged after 7 iterations. iteration 1092: trace = 2.449292772254009 (1.00551e-08% change) linmin: converged after 6 iterations. iteration 1093: trace = 2.449292772161949 (3.75864e-09% change) linmin: converged after 3 iterations. iteration 1094: trace = 2.449292772011415 (6.14605e-09% change) linmin: converged after 4 iterations. iteration 1095: trace = 2.449292771850801 (6.55756e-09% change) linmin: converged after 4 iterations. iteration 1096: trace = 2.449292771797065 (2.19394e-09% change) large trace change predicted (5.83812e-09%) linmin: converged after 14 iterations. iteration 1097: trace = 2.449292771654068 (5.83827e-09% change) linmin: converged after 4 iterations. iteration 1098: trace = 2.449292771513419 (5.74246e-09% change) linmin: converged after 11 iterations. iteration 1099: trace = 2.449292771421784 (3.74129e-09% change) linmin: converged after 2 iterations. iteration 1100: trace = 2.449292771364208 (2.35071e-09% change) large trace change predicted (6.89242e-09%) linmin: converged after 4 iterations. iteration 1101: trace = 2.449292771195394 (6.89235e-09% change) linmin: converged after 7 iterations. iteration 1102: trace = 2.449292771162106 (1.35907e-09% change) large trace change predicted (9.18733e-09%) linmin: converged after 4 iterations. iteration 1103: trace = 2.449292770937089 (9.18705e-09% change) linmin: converged after 5 iterations. iteration 1104: trace = 2.449292770784506 (6.22965e-09% change) linmin: converged after 6 iterations. iteration 1105: trace = 2.449292770676695 (4.40172e-09% change) linmin: converged after 4 iterations. iteration 1106: trace = 2.449292770545346 (5.36272e-09% change) linmin: converged after 8 iterations. iteration 1107: trace = 2.449292770396842 (6.06315e-09% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.449292770294642 (4.17265e-09% change) linmin: converged after 4 iterations. iteration 1109: trace = 2.449292770238428 (2.2951e-09% change) large trace change predicted (5.88203e-09%) linmin: converged after 8 iterations. iteration 1110: trace = 2.449292770094349 (5.88249e-09% change) linmin: converged after 14 iterations. iteration 1111: trace = 2.449292769919018 (7.15843e-09% change) linmin: converged after 6 iterations. iteration 1112: trace = 2.449292769863808 (2.25412e-09% change) large trace change predicted (5.93943e-09%) linmin: converged after 5 iterations. iteration 1113: trace = 2.44929276971833 (5.93959e-09% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.449292769633277 (3.47253e-09% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292769598002 (1.44021e-09% change) large trace change predicted (3.28883e-09%) linmin: converged after 9 iterations. iteration 1116: trace = 2.449292769517458 (3.28848e-09% change) linmin: converged after 4 iterations. iteration 1117: trace = 2.44929276944664 (2.89135e-09% change) linmin: converged after 6 iterations. iteration 1118: trace = 2.449292769413163 (1.36683e-09% change) large trace change predicted (4.58719e-09%) linmin: converged after 4 iterations. iteration 1119: trace = 2.449292769300816 (4.5869e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1120: trace = 2.449292769207945 (3.79177e-09% change) linmin: converged after 24 iterations. iteration 1121: trace = 2.449292769174487 (1.36601e-09% change) linmin: converged after 16 iterations. iteration 1122: trace = 2.449292769112172 (2.54419e-09% change) linmin: converged after 4 iterations. iteration 1123: trace = 2.449292769039141 (2.98175e-09% change) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292769012477 (1.08862e-09% change) large trace change predicted (3.58814e-09%) linmin: converged after 13 iterations. iteration 1125: trace = 2.449292768924598 (3.58794e-09% change) linmin: converged after 2 iterations. iteration 1126: trace = 2.449292768832607 (3.75581e-09% change) linmin: converged after 12 iterations. iteration 1127: trace = 2.449292768792445 (1.63976e-09% change) large trace change predicted (7.39633e-09%) linmin: converged after 4 iterations. iteration 1128: trace = 2.449292768611284 (7.39646e-09% change) linmin: converged after 3 iterations. iteration 1129: trace = 2.449292768506144 (4.29266e-09% change) linmin: converged after 21 iterations. iteration 1130: trace = 2.449292768457655 (1.97972e-09% change) large trace change predicted (5.11882e-09%) linmin: converged after 8 iterations. iteration 1131: trace = 2.44929276833227 (5.1192e-09% change) linmin: converged after 4 iterations. iteration 1132: trace = 2.44929276826444 (2.76938e-09% change) linmin: converged after 4 iterations. iteration 1133: trace = 2.449292768220945 (1.77582e-09% change) large trace change predicted (6.15276e-09%) linmin: converged after 5 iterations. iteration 1134: trace = 2.449292768070248 (6.15268e-09% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.449292767936899 (5.4444e-09% change) linmin: converged after 8 iterations. iteration 1136: trace = 2.449292767865006 (2.93524e-09% change) linmin: converged after 24 iterations. iteration 1137: trace = 2.449292767749275 (4.7251e-09% change) linmin: converged after 18 iterations. iteration 1138: trace = 2.449292767673901 (3.07736e-09% change) linmin: converged after 5 iterations. iteration 1139: trace = 2.449292767625506 (1.97588e-09% change) large trace change predicted (4.62544e-09%) linmin: converged after 8 iterations. iteration 1140: trace = 2.449292767512211 (4.62561e-09% change) linmin: converged after 4 iterations. iteration 1141: trace = 2.449292767458132 (2.20796e-09% change) linmin: converged after 12 iterations. iteration 1142: trace = 2.44929276741667 (1.69283e-09% change) large trace change predicted (5.12777e-09%) linmin: converged after 15 iterations. iteration 1143: trace = 2.44929276729107 (5.12797e-09% change) linmin: converged after 8 iterations. iteration 1144: trace = 2.449292767192424 (4.02757e-09% change) linmin: converged after 14 iterations. iteration 1145: trace = 2.449292767125629 (2.72708e-09% change) large trace change predicted (5.602e-09%) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292766988421 (5.60196e-09% change) linmin: converged after 21 iterations. iteration 1147: trace = 2.449292766856888 (5.37026e-09% change) linmin: converged after 9 iterations. iteration 1148: trace = 2.449292766718222 (5.66143e-09% change) linmin: converged after 22 iterations. iteration 1149: trace = 2.449292766664659 (2.18689e-09% change) large trace change predicted (4.75018e-09%) linmin: converged after 4 iterations. iteration 1150: trace = 2.449292766548319 (4.74995e-09% change) linmin: converged after 15 iterations. iteration 1151: trace = 2.449292766469071 (3.23555e-09% change) linmin: converged after 19 iterations. iteration 1152: trace = 2.449292766420135 (1.99794e-09% change) large trace change predicted (4.23654e-09%) linmin: converged after 4 iterations. iteration 1153: trace = 2.44929276631637 (4.23655e-09% change) linmin: converged after 4 iterations. iteration 1154: trace = 2.449292766160986 (6.34401e-09% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.449292766124755 (1.47924e-09% change) large trace change predicted (5.15868e-09%) linmin: converged after 4 iterations. iteration 1156: trace = 2.449292765998404 (5.15869e-09% change) linmin: converged after 6 iterations. iteration 1157: trace = 2.449292765935637 (2.56266e-09% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.449292765899906 (1.45881e-09% change) large trace change predicted (2.92916e-09%) linmin: converged after 7 iterations. iteration 1159: trace = 2.449292765828161 (2.92924e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.449292765743729 (3.44718e-09% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.449292765723738 (8.16218e-10% change) large trace change predicted (2.90287e-09%) linmin: converged after 4 iterations. iteration 1162: trace = 2.449292765652641 (2.90273e-09% change) linmin: converged after 5 iterations. iteration 1163: trace = 2.449292765569054 (3.41271e-09% change) linmin: converged after 22 iterations. iteration 1164: trace = 2.449292765531185 (1.54609e-09% change) large trace change predicted (6.92498e-09%) linmin: converged after 6 iterations. iteration 1165: trace = 2.449292765361574 (6.92491e-09% change) linmin: converged after 8 iterations. iteration 1166: trace = 2.449292765233529 (5.22784e-09% change) linmin: converged after 4 iterations. iteration 1167: trace = 2.449292765177515 (2.28692e-09% change) large trace change predicted (5.05834e-09%) linmin: converged after 4 iterations. iteration 1168: trace = 2.449292765053626 (5.05817e-09% change) linmin: converged after 2 iterations. iteration 1169: trace = 2.44929276490832 (5.93257e-09% change) linmin: converged after 12 iterations. iteration 1170: trace = 2.449292764865311 (1.75596e-09% change) large trace change predicted (7.66176e-09%) linmin: converged after 6 iterations. iteration 1171: trace = 2.449292764677668 (7.66114e-09% change) linmin: converged after 9 iterations. iteration 1172: trace = 2.449292764529497 (6.04952e-09% change) linmin: converged after 6 iterations. iteration 1173: trace = 2.449292764480703 (1.99218e-09% change) large trace change predicted (5.88066e-09%) linmin: converged after 7 iterations. iteration 1174: trace = 2.449292764336675 (5.88041e-09% change) linmin: converged after 7 iterations. iteration 1175: trace = 2.4492927642334 (4.21649e-09% change) linmin: converged after 10 iterations. iteration 1176: trace = 2.44929276419644 (1.50902e-09% change) large trace change predicted (5.18554e-09%) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292764069439 (5.18523e-09% change) linmin: converged after 6 iterations. iteration 1178: trace = 2.449292763983804 (3.49632e-09% change) linmin: converged after 10 iterations. iteration 1179: trace = 2.449292763906459 (3.15782e-09% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.449292763886309 (8.22709e-10% change) large trace change predicted (3.99812e-09%) linmin: converged after 4 iterations. iteration 1181: trace = 2.449292763788384 (3.99807e-09% change) linmin: converged after 3 iterations. iteration 1182: trace = 2.449292763681783 (4.35232e-09% change) linmin: converged after 4 iterations. iteration 1183: trace = 2.449292763632564 (2.00955e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.449292763574655 (2.36431e-09% change) large trace change predicted (7.08352e-09%) linmin: converged after 4 iterations. iteration 1185: trace = 2.449292763401157 (7.08358e-09% change) linmin: converged after 12 iterations. iteration 1186: trace = 2.44929276333975 (2.50715e-09% change) large trace change predicted (5.40907e-09%) linmin: converged after 4 iterations. iteration 1187: trace = 2.449292763207268 (5.40897e-09% change) linmin: converged after 22 iterations. iteration 1188: trace = 2.449292763113016 (3.84814e-09% change) large trace change predicted (8.83817e-09%) linmin: converged after 15 iterations. iteration 1189: trace = 2.449292762896544 (8.83817e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.449292762717592 (7.30623e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292762611455 (4.3334e-09% change) linmin: converged after 4 iterations. iteration 1192: trace = 2.449292762567493 (1.79486e-09% change) large trace change predicted (3.62181e-09%) linmin: converged after 4 iterations. iteration 1193: trace = 2.4492927624788 (3.62119e-09% change) linmin: converged after 8 iterations. iteration 1194: trace = 2.449292762349404 (5.283e-09% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.449292762305906 (1.77593e-09% change) large trace change predicted (3.56967e-09%) linmin: converged after 2 iterations. iteration 1196: trace = 2.449292762218471 (3.56982e-09% change) linmin: converged after 12 iterations. iteration 1197: trace = 2.449292762150577 (2.77199e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.449292762124685 (1.05711e-09% change) linmin: converged after 22 iterations. iteration 1199: trace = 2.449292762087095 (1.53471e-09% change) linmin: converged after 10 iterations. iteration 1200: trace = 2.449292762024384 (2.5604e-09% change) linmin: converged after 3 iterations. iteration 1201: trace = 2.449292762010547 (5.64918e-10% change) large trace change predicted (3.2849e-09%) linmin: converged after 3 iterations. iteration 1202: trace = 2.449292761930091 (3.28487e-09% change) linmin: converged after 4 iterations. iteration 1203: trace = 2.449292761879717 (2.05669e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.449292761843522 (1.47776e-09% change) large trace change predicted (3.25941e-09%) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292761763684 (3.25965e-09% change) linmin: converged after 21 iterations. iteration 1206: trace = 2.449292761650738 (4.61138e-09% change) linmin: converged after 4 iterations. iteration 1207: trace = 2.449292761596076 (2.23173e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292761532552 (2.59358e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292761448039 (3.4505e-09% change) linmin: converged after 13 iterations. iteration 1210: trace = 2.449292761412607 (1.44664e-09% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.449292761341787 (2.89144e-09% change) linmin: converged after 3 iterations. iteration 1212: trace = 2.449292761266366 (3.07928e-09% change) linmin: converged after 10 iterations. iteration 1213: trace = 2.449292761241072 (1.03272e-09% change) large trace change predicted (2.69366e-09%) linmin: converged after 7 iterations. iteration 1214: trace = 2.449292761175105 (2.69332e-09% change) linmin: converged after 5 iterations. iteration 1215: trace = 2.449292761101445 (3.00739e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.449292761077976 (9.58168e-10% change) large trace change predicted (2.1445e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292761025447 (2.14466e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.449292760981985 (1.77449e-09% change) linmin: converged after 2 iterations. iteration 1219: trace = 2.449292760970025 (4.88295e-10% change) large trace change predicted (1.15429e-09%) linmin: converged after 6 iterations. iteration 1220: trace = 2.449292760941751 (1.15437e-09% change) linmin: converged after 16 iterations. iteration 1221: trace = 2.449292760913146 (1.16789e-09% change) linmin: converged after 3 iterations. iteration 1222: trace = 2.449292760893683 (7.94642e-10% change) linmin: converged after 15 iterations. iteration 1223: trace = 2.449292760859853 (1.38123e-09% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.449292760821593 (1.56207e-09% change) linmin: converged after 5 iterations. iteration 1225: trace = 2.449292760760452 (2.49627e-09% change) linmin: converged after 21 iterations. iteration 1226: trace = 2.449292760745517 (6.09756e-10% change) large trace change predicted (2.70511e-09%) linmin: converged after 3 iterations. iteration 1227: trace = 2.44929276067927 (2.70476e-09% change) linmin: converged after 13 iterations. iteration 1228: trace = 2.449292760664923 (5.85751e-10% change) large trace change predicted (1.48289e-09%) linmin: converged after 4 iterations. iteration 1229: trace = 2.449292760628611 (1.48256e-09% change) linmin: converged after 4 iterations. iteration 1230: trace = 2.449292760588538 (1.63612e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.449292760554654 (1.38342e-09% change) linmin: converged after 8 iterations. iteration 1232: trace = 2.449292760517804 (1.50452e-09% change) linmin: converged after 17 iterations. iteration 1233: trace = 2.449292760451198 (2.71937e-09% change) linmin: converged after 9 iterations. iteration 1234: trace = 2.449292760411976 (1.60138e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.44929276039323 (7.65341e-10% change) large trace change predicted (1.6178e-09%) linmin: converged after 11 iterations. iteration 1236: trace = 2.44929276035361 (1.61764e-09% change) linmin: converged after 9 iterations. iteration 1237: trace = 2.449292760316289 (1.52372e-09% change) linmin: converged after 11 iterations. iteration 1238: trace = 2.449292760306582 (3.96314e-10% change) large trace change predicted (1.67326e-09%) linmin: converged after 6 iterations. iteration 1239: trace = 2.449292760265597 (1.67338e-09% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292760241438 (9.86362e-10% change) linmin: converged after 4 iterations. iteration 1241: trace = 2.449292760227966 (5.50014e-10% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.449292760201557 (1.07823e-09% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292760154378 (1.92622e-09% change) linmin: converged after 17 iterations. iteration 1244: trace = 2.449292760140548 (5.64682e-10% change) large trace change predicted (2.16158e-09%) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292760087613 (2.16122e-09% change) linmin: converged after 6 iterations. iteration 1246: trace = 2.449292760054535 (1.35053e-09% change) linmin: converged after 12 iterations. iteration 1247: trace = 2.449292760039802 (6.01489e-10% change) large trace change predicted (1.37616e-09%) linmin: converged after 5 iterations. iteration 1248: trace = 2.449292760006092 (1.37635e-09% change) linmin: converged after 12 iterations. iteration 1249: trace = 2.449292759980345 (1.05118e-09% change) linmin: converged after 12 iterations. iteration 1250: trace = 2.449292759962479 (7.29423e-10% change) linmin: converged after 6 iterations. iteration 1251: trace = 2.44929275993463 (1.13705e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.449292759891335 (1.76766e-09% change) linmin: converged after 5 iterations. iteration 1253: trace = 2.449292759880612 (4.37763e-10% change) large trace change predicted (1.49103e-09%) linmin: converged after 24 iterations. iteration 1254: trace = 2.449292759844092 (1.49107e-09% change) linmin: converged after 8 iterations. iteration 1255: trace = 2.449292759822278 (8.90611e-10% change) linmin: converged after 16 iterations. iteration 1256: trace = 2.449292759812992 (3.79144e-10% change) linmin: converged after 12 iterations. iteration 1257: trace = 2.4492927597955 (7.14157e-10% change) linmin: converged after 5 iterations. iteration 1258: trace = 2.449292759780366 (6.17897e-10% change) linmin: converged after 5 iterations. iteration 1259: trace = 2.449292759772614 (3.16482e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.449292759766593 (2.45824e-10% change) linmin: converged after 6 iterations. iteration 1261: trace = 2.449292759755092 (4.69583e-10% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.449292759737991 (6.98201e-10% change) linmin: converged after 4 iterations. iteration 1263: trace = 2.449292759729103 (3.6288e-10% change) large trace change predicted (8.24521e-10%) linmin: converged after 2 iterations. iteration 1264: trace = 2.44929275970891 (8.24449e-10% change) linmin: converged after 20 iterations. iteration 1265: trace = 2.44929275968292 (1.06112e-09% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.449292759668508 (5.88416e-10% change) large trace change predicted (1.70135e-09%) linmin: converged after 4 iterations. iteration 1267: trace = 2.449292759626825 (1.70182e-09% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.449292759610408 (6.70297e-10% change) linmin: converged after 12 iterations. iteration 1269: trace = 2.449292759595051 (6.26999e-10% change) large trace change predicted (1.34568e-09%) linmin: converged after 4 iterations. iteration 1270: trace = 2.449292759562082 (1.34605e-09% change) linmin: converged after 10 iterations. iteration 1271: trace = 2.449292759545577 (6.73869e-10% change) linmin: converged after 4 iterations. iteration 1272: trace = 2.449292759529808 (6.43825e-10% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.44929275950001 (1.21658e-09% change) linmin: converged after 15 iterations. iteration 1274: trace = 2.449292759458074 (1.71216e-09% change) linmin: converged after 4 iterations. iteration 1275: trace = 2.449292759449455 (3.51929e-10% change) large trace change predicted (1.64916e-09%) linmin: converged after 4 iterations. iteration 1276: trace = 2.449292759409063 (1.64912e-09% change) linmin: converged after 3 iterations. iteration 1277: trace = 2.449292759389483 (7.99428e-10% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.449292759378646 (4.42422e-10% change) linmin: converged after 4 iterations. iteration 1279: trace = 2.44929275936119 (7.12706e-10% change) linmin: converged after 3 iterations. iteration 1280: trace = 2.449292759332107 (1.18742e-09% change) linmin: converged after 5 iterations. iteration 1281: trace = 2.449292759326438 (2.31446e-10% change) large trace change predicted (1.25622e-09%) linmin: converged after 3 iterations. iteration 1282: trace = 2.449292759295667 (1.2563e-09% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.449292759275908 (8.06735e-10% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.449292759265489 (4.25415e-10% change) large trace change predicted (1.34205e-09%) linmin: converged after 6 iterations. iteration 1285: trace = 2.449292759232619 (1.34199e-09% change) linmin: converged after 4 iterations. iteration 1286: trace = 2.449292759195018 (1.53518e-09% change) linmin: converged after 6 iterations. iteration 1287: trace = 2.449292759182839 (4.97252e-10% change) large trace change predicted (1.50135e-09%) linmin: converged after 2 iterations. iteration 1288: trace = 2.449292759146068 (1.50131e-09% change) linmin: converged after 3 iterations. iteration 1289: trace = 2.449292759125609 (8.35292e-10% change) linmin: converged after 24 iterations. iteration 1290: trace = 2.449292759110631 (6.11497e-10% change) linmin: converged after 3 iterations. iteration 1291: trace = 2.449292759089233 (8.73676e-10% change) linmin: converged after 18 iterations. iteration 1292: trace = 2.449292759051086 (1.55746e-09% change) linmin: converged after 19 iterations. iteration 1293: trace = 2.449292759024714 (1.07673e-09% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.449292759007655 (6.9646e-10% change) linmin: converged after 3 iterations. iteration 1295: trace = 2.449292758985949 (8.86241e-10% change) linmin: converged after 5 iterations. iteration 1296: trace = 2.44929275895999 (1.05985e-09% change) linmin: converged after 4 iterations. iteration 1297: trace = 2.449292758954677 (2.16923e-10% change) large trace change predicted (5.78648e-10%) linmin: converged after 2 iterations. iteration 1298: trace = 2.44929275894052 (5.7799e-10% change) linmin: converged after 7 iterations. iteration 1299: trace = 2.449292758922962 (7.1684e-10% change) linmin: converged after 15 iterations. iteration 1300: trace = 2.449292758914976 (3.26074e-10% change) large trace change predicted (6.82033e-10%) linmin: converged after 10 iterations. iteration 1301: trace = 2.449292758898275 (6.81883e-10% change) linmin: converged after 3 iterations. iteration 1302: trace = 2.449292758865 (1.35856e-09% change) linmin: converged after 2 iterations. iteration 1303: trace = 2.449292758847361 (7.2014e-10% change) linmin: converged after 9 iterations. iteration 1304: trace = 2.449292758827231 (8.21893e-10% change) linmin: converged after 2 iterations. iteration 1305: trace = 2.449292758789968 (1.52135e-09% change) linmin: converged after 8 iterations. iteration 1306: trace = 2.449292758768983 (8.56796e-10% change) linmin: converged after 13 iterations. iteration 1307: trace = 2.449292758747345 (8.83449e-10% change) linmin: converged after 5 iterations. iteration 1308: trace = 2.44929275870832 (1.59329e-09% change) linmin: converged after 4 iterations. iteration 1309: trace = 2.449292758691069 (7.04329e-10% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.449292758664736 (1.07513e-09% change) linmin: converged after 10 iterations. iteration 1311: trace = 2.449292758624787 (1.63104e-09% change) linmin: converged after 5 iterations. iteration 1312: trace = 2.449292758607081 (7.22896e-10% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.449292758572389 (1.41642e-09% change) linmin: converged after 6 iterations. iteration 1314: trace = 2.44929275854326 (1.18929e-09% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.449292758523038 (8.25628e-10% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.449292758511405 (4.74932e-10% change) large trace change predicted (1.08925e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.449292758484731 (1.08908e-09% change) linmin: converged after 4 iterations. iteration 1318: trace = 2.449292758465236 (7.95929e-10% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.449292758456753 (3.46363e-10% change) linmin: converged after 5 iterations. iteration 1320: trace = 2.449292758441806 (6.10246e-10% change) linmin: converged after 4 iterations. iteration 1321: trace = 2.449292758424139 (7.213e-10% change) linmin: converged after 7 iterations. iteration 1322: trace = 2.449292758415812 (3.3998e-10% change) large trace change predicted (1.3161e-09%) linmin: converged after 14 iterations. iteration 1323: trace = 2.449292758383572 (1.3163e-09% change) linmin: converged after 5 iterations. iteration 1324: trace = 2.44929275835185 (1.29517e-09% change) linmin: converged after 13 iterations. iteration 1325: trace = 2.449292758326648 (1.02895e-09% change) linmin: converged after 19 iterations. iteration 1326: trace = 2.449292758303574 (9.42049e-10% change) linmin: converged after 4 iterations. iteration 1327: trace = 2.449292758277524 (1.06357e-09% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.449292758252693 (1.01379e-09% change) large trace change predicted (8.40086e-09%) linmin: converged after 4 iterations. iteration 1329: trace = 2.449292758046933 (8.40082e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1330: trace = 2.44929275790291 (5.88015e-09% change) linmin: converged after 24 iterations. iteration 1331: trace = 2.449292757876876 (1.06295e-09% change) linmin: converged after 3 iterations. iteration 1332: trace = 2.449292757848081 (1.17564e-09% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.449292757826293 (8.89559e-10% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.449292757820376 (2.41582e-10% change) large trace change predicted (1.06252e-09%) linmin: converged after 21 iterations. iteration 1335: trace = 2.449292757794349 (1.06262e-09% change) linmin: converged after 7 iterations. iteration 1336: trace = 2.449292757770015 (9.93524e-10% change) linmin: converged after 6 iterations. iteration 1337: trace = 2.449292757766127 (1.5874e-10% change) large trace change predicted (5.23583e-10%) linmin: converged after 4 iterations. iteration 1338: trace = 2.449292757753303 (5.2356e-10% change) linmin: converged after 15 iterations. iteration 1339: trace = 2.44929275774396 (3.81465e-10% change) linmin: converged after 4 iterations. iteration 1340: trace = 2.449292757740452 (1.43219e-10% change) large trace change predicted (5.01012e-10%) linmin: converged after 4 iterations. iteration 1341: trace = 2.449292757728167 (5.01585e-10% change) linmin: converged after 3 iterations. iteration 1342: trace = 2.449292757716413 (4.799e-10% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.449292757711717 (1.91721e-10% change) large trace change predicted (4.77623e-10%) linmin: converged after 3 iterations. iteration 1344: trace = 2.449292757700023 (4.77452e-10% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.449292757683593 (6.70805e-10% change) linmin: converged after 12 iterations. iteration 1346: trace = 2.449292757679184 (1.80008e-10% change) large trace change predicted (7.4821e-10%) linmin: converged after 16 iterations. iteration 1347: trace = 2.449292757660854 (7.4837e-10% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.449292757646528 (5.84935e-10% change) linmin: converged after 8 iterations. iteration 1349: trace = 2.449292757638331 (3.34632e-10% change) large trace change predicted (7.39232e-10%) linmin: converged after 6 iterations. iteration 1350: trace = 2.449292757620223 (7.39323e-10% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.449292757600417 (8.08639e-10% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.44929275759643 (1.62801e-10% change) large trace change predicted (6.92469e-10%) linmin: converged after 5 iterations. iteration 1353: trace = 2.449292757579465 (6.92635e-10% change) linmin: converged after 2 iterations. iteration 1354: trace = 2.449292757568233 (4.58596e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.449292757562311 (2.41763e-10% change) large trace change predicted (5.32323e-10%) linmin: converged after 4 iterations. iteration 1356: trace = 2.449292757549271 (5.32426e-10% change) linmin: converged after 6 iterations. iteration 1357: trace = 2.449292757537136 (4.9542e-10% change) linmin: converged after 6 iterations. iteration 1358: trace = 2.449292757534256 (1.17582e-10% change) large trace change predicted (3.35639e-10%) linmin: converged after 4 iterations. iteration 1359: trace = 2.449292757526038 (3.35556e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.449292757519224 (2.78207e-10% change) linmin: converged after 4 iterations. iteration 1361: trace = 2.449292757516795 (9.91602e-11% change) Finished solving for bands 1 to 10 after 1361 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 53.12124991416931 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861480472709 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854463103744 (0.318769% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499311085669258 (0.341246% change) linmin: converged after 4 iterations. iteration 4: trace = 2.49817317352108 (0.0455394% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.49567908069674 (0.0998865% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170805735585 (0.0203683% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494661114484775 (0.0204292% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494390244909199 (0.0108586% change) linmin: converged after 3 iterations. iteration 9: trace = 2.494240574489288 (0.00600046% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053368077867 (0.00750583% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494007017013601 (0.00185848% change) large trace change predicted (0.00615599%) linmin: converged after 4 iterations. iteration 12: trace = 2.493854116701085 (0.0061309% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809546831947 (0.0017872% change) large trace change predicted (0.00364833%) linmin: converged after 4 iterations. iteration 14: trace = 2.493719002035216 (0.00363085% change) linmin: converged after 3 iterations. iteration 15: trace = 2.493653754921955 (0.00261649% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597641715199 (0.00225027% change) large trace change predicted (0.00494591%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474526524857 (0.00493737% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424358813351 (0.00201198% change) large trace change predicted (0.00492565%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301940630987 (0.00490976% change) linmin: converged after 4 iterations. iteration 20: trace = 2.493244036358098 (0.00232242% change) large trace change predicted (0.00472116%) linmin: converged after 4 iterations. iteration 21: trace = 2.49312669247656 (0.00470658% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032294399893 (0.0037864% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931387509807 (0.00404764% change) linmin: converged after 4 iterations. iteration 24: trace = 2.492785314857156 (0.00585965% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694695987492 (0.00363531% change) linmin: converged after 3 iterations. iteration 26: trace = 2.492556675986185 (0.00553713% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504605987506 (0.00208904% change) large trace change predicted (0.00584588%) linmin: converged after 5 iterations. iteration 28: trace = 2.492359162488835 (0.00583541% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292402017745 (0.00267864% change) linmin: converged after 3 iterations. iteration 30: trace = 2.492204347080524 (0.00353315% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122136738991 (0.00329875% change) linmin: converged after 3 iterations. iteration 32: trace = 2.49208856301634 (0.0013472% change) large trace change predicted (0.00374966%) linmin: converged after 7 iterations. iteration 33: trace = 2.491995216960035 (0.00374577% change) linmin: converged after 3 iterations. iteration 34: trace = 2.491973122022277 (0.00088664% change) large trace change predicted (0.0038412%) linmin: converged after 4 iterations. iteration 35: trace = 2.491877498714847 (0.00383733% change) linmin: converged after 17 iterations. iteration 36: trace = 2.49179975312388 (0.00312001% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716719217455 (0.00333234% change) large trace change predicted (0.0075384%) linmin: converged after 4 iterations. iteration 38: trace = 2.491529202707448 (0.00752588% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464497943194 (0.00259702% change) large trace change predicted (0.0078505%) linmin: converged after 4 iterations. iteration 40: trace = 2.49126932215917 (0.00783408% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195558029637 (0.00296095% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085355571854 (0.00442378% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014833530404 (0.00283102% change) linmin: converged after 4 iterations. iteration 44: trace = 2.490969510290712 (0.00181949% change) large trace change predicted (0.00538774%) linmin: converged after 3 iterations. iteration 45: trace = 2.490834997351995 (0.00540017% change) linmin: converged after 4 iterations. iteration 46: trace = 2.490789575206695 (0.00182359% change) large trace change predicted (0.0100835%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536581563728 (0.0101577% change) linmin: converged after 5 iterations. iteration 48: trace = 2.490423760556173 (0.00453009% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250203591627 (0.00696922% change) linmin: converged after 3 iterations. iteration 50: trace = 2.49002083129779 (0.00921124% change) linmin: converged after 3 iterations. iteration 51: trace = 2.489949147354285 (0.00287889% change) large trace change predicted (0.00946219%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711258974596 (0.0095544% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658567432279 (0.00211639% change) large trace change predicted (0.00434247%) linmin: converged after 3 iterations. iteration 54: trace = 2.489550000455422 (0.00436081% change) linmin: converged after 3 iterations. iteration 55: trace = 2.489470652573644 (0.00318729% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407174636092 (0.00254989% change) linmin: converged after 3 iterations. iteration 57: trace = 2.489315150955654 (0.00369668% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272706788709 (0.00170507% change) large trace change predicted (0.00358373%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183353640037 (0.00358959% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147470307298 (0.00144158% change) large trace change predicted (0.00337115%) linmin: converged after 3 iterations. iteration 61: trace = 2.489063481331742 (0.00337426% change) linmin: converged after 3 iterations. iteration 62: trace = 2.48901422407795 (0.00197897% change) linmin: converged after 6 iterations. iteration 63: trace = 2.488950829513044 (0.00254701% change) linmin: converged after 5 iterations. iteration 64: trace = 2.488865344719553 (0.00343463% change) linmin: converged after 8 iterations. iteration 65: trace = 2.488829051233454 (0.00145824% change) linmin: converged after 4 iterations. iteration 66: trace = 2.488764003689044 (0.00261361% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735882155565 (0.00112995% change) large trace change predicted (0.00312724%) linmin: converged after 3 iterations. iteration 68: trace = 2.488658103613104 (0.00312527% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603319064731 (0.00220139% change) resetting CG direction... linmin: converged after 6 iterations. iteration 70: trace = 2.488574464978115 (0.00115946% change) large trace change predicted (0.00249227%) linmin: converged after 4 iterations. iteration 71: trace = 2.488512474606686 (0.00249103% change) linmin: converged after 4 iterations. iteration 72: trace = 2.488484773425897 (0.00111317% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451467268312 (0.00133842% change) large trace change predicted (0.00319145%) linmin: converged after 4 iterations. iteration 74: trace = 2.488372281244194 (0.00318219% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356713751229 (0.000625611% change) large trace change predicted (0.00190212%) linmin: converged after 4 iterations. iteration 76: trace = 2.488309435309719 (0.0019% change) linmin: converged after 11 iterations. iteration 77: trace = 2.488271445839762 (0.00152673% change) linmin: converged after 4 iterations. iteration 78: trace = 2.488257982312895 (0.000541081% change) large trace change predicted (0.00171635%) linmin: converged after 4 iterations. iteration 79: trace = 2.488215357066825 (0.00171307% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166198105475 (0.00197569% change) linmin: converged after 5 iterations. iteration 81: trace = 2.488145067534834 (0.000849246% change) linmin: converged after 7 iterations. iteration 82: trace = 2.48810612493784 (0.00156514% change) linmin: converged after 5 iterations. iteration 83: trace = 2.48806634557896 (0.00159879% change) linmin: converged after 3 iterations. iteration 84: trace = 2.488048677095436 (0.000710132% change) large trace change predicted (0.00194434%) linmin: converged after 5 iterations. iteration 85: trace = 2.488000449554283 (0.00193839% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487938031715103 (0.00250879% change) linmin: converged after 7 iterations. iteration 87: trace = 2.487919750391384 (0.000734801% change) large trace change predicted (0.00296065%) linmin: converged after 4 iterations. iteration 88: trace = 2.487846134717825 (0.00295897% change) linmin: converged after 3 iterations. iteration 89: trace = 2.487797952511472 (0.00193672% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776363151786 (0.000867814% change) large trace change predicted (0.00215083%) linmin: converged after 10 iterations. iteration 91: trace = 2.487722871225811 (0.00215021% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710840981794 (0.000483586% change) large trace change predicted (0.00124497%) linmin: converged after 3 iterations. iteration 93: trace = 2.487679879716349 (0.00124458% change) linmin: converged after 4 iterations. iteration 94: trace = 2.487653037956984 (0.00107899% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630541180297 (0.000904341% change) linmin: converged after 5 iterations. iteration 96: trace = 2.487599206550267 (0.00125963% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540197679734 (0.00237215% change) linmin: converged after 5 iterations. iteration 98: trace = 2.487521635305968 (0.000746217% change) linmin: converged after 3 iterations. iteration 99: trace = 2.487493687958401 (0.00112351% change) linmin: converged after 3 iterations. iteration 100: trace = 2.487462254951695 (0.00126365% change) linmin: converged after 3 iterations. iteration 101: trace = 2.487455364732547 (0.000276998% change) large trace change predicted (0.000934281%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432162508178 (0.000932774% change) linmin: converged after 4 iterations. iteration 103: trace = 2.487405029486632 (0.00109081% change) linmin: converged after 4 iterations. iteration 104: trace = 2.487396802201519 (0.000330758% change) large trace change predicted (0.00148421%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359792429377 (0.0014879% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331078705275 (0.00115439% change) linmin: converged after 3 iterations. iteration 107: trace = 2.48731947068787 (0.000466687% change) large trace change predicted (0.00231857%) linmin: converged after 3 iterations. iteration 108: trace = 2.48726169363943 (0.00232289% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237057701324 (0.000990489% change) linmin: converged after 4 iterations. iteration 110: trace = 2.487206707848436 (0.00122023% change) linmin: converged after 3 iterations. iteration 111: trace = 2.487172985438744 (0.00135584% change) linmin: converged after 4 iterations. iteration 112: trace = 2.487160508343043 (0.000501659% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141936408267 (0.000746715% change) linmin: converged after 3 iterations. iteration 114: trace = 2.487111545504631 (0.00122193% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101710996413 (0.00039542% change) large trace change predicted (0.000797764%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081875038877 (0.000797556% change) linmin: converged after 4 iterations. iteration 117: trace = 2.48706366292722 (0.000732271% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055239308694 (0.000338698% change) large trace change predicted (0.0010451%) linmin: converged after 10 iterations. iteration 119: trace = 2.487029239202449 (0.00104542% change) linmin: converged after 3 iterations. iteration 120: trace = 2.487007955946442 (0.000855774% change) linmin: converged after 29 iterations. iteration 121: trace = 2.487000100215673 (0.000315871% change) large trace change predicted (0.000980721%) linmin: converged after 5 iterations. iteration 122: trace = 2.48697570977514 (0.000980722% change) linmin: converged after 6 iterations. iteration 123: trace = 2.486952807961758 (0.000920874% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940009636856 (0.00051462% change) large trace change predicted (0.00230947%) linmin: converged after 5 iterations. iteration 125: trace = 2.486882627493922 (0.00230737% change) linmin: converged after 5 iterations. iteration 126: trace = 2.486843268668319 (0.00158267% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783843743425 (0.0023896% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698697470827 (0.00342401% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661259049241 (0.00150556% change) linmin: converged after 3 iterations. iteration 130: trace = 2.486623145191467 (0.00153274% change) linmin: converged after 4 iterations. iteration 131: trace = 2.486591376691124 (0.00127758% change) linmin: converged after 4 iterations. iteration 132: trace = 2.486581546709962 (0.00039532% change) large trace change predicted (0.000969847%) linmin: converged after 3 iterations. iteration 133: trace = 2.486557421968878 (0.000970202% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535845305666 (0.000867736% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525674076917 (0.000409053% change) large trace change predicted (0.00132526%) linmin: converged after 4 iterations. iteration 136: trace = 2.486492697695254 (0.00132621% change) linmin: converged after 5 iterations. iteration 137: trace = 2.486468505273748 (0.000972958% change) linmin: converged after 11 iterations. iteration 138: trace = 2.486461341887666 (0.000288095% change) large trace change predicted (0.000629449%) linmin: converged after 4 iterations. iteration 139: trace = 2.486445692091887 (0.000629402% change) resetting CG direction... linmin: converged after 8 iterations. iteration 140: trace = 2.486440315861086 (0.000216222% change) linmin: converged after 3 iterations. iteration 141: trace = 2.48643687578006 (0.000138354% change) large trace change predicted (0.000494227%) linmin: converged after 4 iterations. iteration 142: trace = 2.486424598299805 (0.000493779% change) linmin: converged after 4 iterations. iteration 143: trace = 2.486421606680812 (0.000120318% change) large trace change predicted (0.00052029%) linmin: converged after 6 iterations. iteration 144: trace = 2.486408686441261 (0.000519633% change) linmin: converged after 12 iterations. iteration 145: trace = 2.486391977482062 (0.000672014% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387496404798 (0.000180224% change) large trace change predicted (0.000451878%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376258940379 (0.000451961% change) linmin: converged after 4 iterations. iteration 148: trace = 2.486363609646179 (0.000508745% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359918999897 (0.000148436% change) large trace change predicted (0.000895063%) linmin: converged after 3 iterations. iteration 150: trace = 2.486337650738566 (0.000895621% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322562824431 (0.000606835% change) linmin: converged after 7 iterations. iteration 152: trace = 2.486310259281993 (0.00049485% change) linmin: converged after 4 iterations. iteration 153: trace = 2.486288327253172 (0.000882115% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270539570322 (0.000715434% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265040806902 (0.000221165% change) large trace change predicted (0.000473352%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253261559098 (0.000473774% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244483127016 (0.000353079% change) linmin: converged after 3 iterations. iteration 158: trace = 2.486241760448975 (0.00010951% change) large trace change predicted (0.000397471%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231874962918 (0.000397608% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229429341188 (9.83666e-05% change) large trace change predicted (0.000220516%) linmin: converged after 4 iterations. iteration 161: trace = 2.486223946528442 (0.000220527% change) linmin: converged after 3 iterations. iteration 162: trace = 2.486219124201152 (0.000193962% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216687244646 (9.80186e-05% change) large trace change predicted (0.000285559%) linmin: converged after 6 iterations. iteration 164: trace = 2.486209594945985 (0.000285265% change) linmin: converged after 6 iterations. iteration 165: trace = 2.486198862687176 (0.000431672% change) linmin: converged after 6 iterations. iteration 166: trace = 2.486195907258774 (0.000118873% change) large trace change predicted (0.000257671%) linmin: converged after 4 iterations. iteration 167: trace = 2.486189503806598 (0.000257561% change) linmin: converged after 3 iterations. iteration 168: trace = 2.486181618437203 (0.000317167% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178699822941 (0.000117394% change) linmin: converged after 3 iterations. iteration 170: trace = 2.48617291141353 (0.000232824% change) linmin: converged after 3 iterations. iteration 171: trace = 2.486164244661676 (0.000348599% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160640505299 (0.000144969% change) large trace change predicted (0.000303943%) linmin: converged after 3 iterations. iteration 173: trace = 2.486153086225372 (0.000303854% change) linmin: converged after 5 iterations. iteration 174: trace = 2.486145935953004 (0.000287604% change) linmin: converged after 3 iterations. iteration 175: trace = 2.486143273850362 (0.000107078% change) large trace change predicted (0.00027753%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136376354256 (0.000277438% change) linmin: converged after 5 iterations. iteration 177: trace = 2.48613153372627 (0.000194785% change) linmin: converged after 3 iterations. iteration 178: trace = 2.486129058044777 (9.95797e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.486124804741149 (0.000171082% change) linmin: converged after 3 iterations. iteration 180: trace = 2.486122222753536 (0.000103856% change) linmin: converged after 5 iterations. iteration 181: trace = 2.486119039475292 (0.000128042% change) large trace change predicted (0.000340744%) linmin: converged after 6 iterations. iteration 182: trace = 2.486110573976734 (0.000340511% change) linmin: converged after 12 iterations. iteration 183: trace = 2.486105954910799 (0.000185795% change) linmin: converged after 4 iterations. iteration 184: trace = 2.48610364097026 (9.30749e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.486099618538872 (0.000161797% change) linmin: converged after 3 iterations. iteration 186: trace = 2.4860956762223 (0.000158574% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093671353009 (8.06433e-05% change) large trace change predicted (0.000189638%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088956618679 (0.000189644% change) linmin: converged after 4 iterations. iteration 189: trace = 2.486086818655275 (8.59971e-05% change) large trace change predicted (0.000211067%) linmin: converged after 5 iterations. iteration 190: trace = 2.486081569583946 (0.000211138% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075428057851 (0.000247037% change) linmin: converged after 4 iterations. iteration 192: trace = 2.486072747936598 (0.000107805% change) linmin: converged after 3 iterations. iteration 193: trace = 2.486067936747741 (0.000193526% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062757967267 (0.000208312% change) linmin: converged after 2 iterations. iteration 195: trace = 2.486061491483907 (5.09434e-05% change) large trace change predicted (0.000141157%) linmin: converged after 4 iterations. iteration 196: trace = 2.486057980338971 (0.000141233% change) linmin: converged after 4 iterations. iteration 197: trace = 2.486054793316639 (0.000128196% change) linmin: converged after 13 iterations. iteration 198: trace = 2.486053758649456 (4.16188e-05% change) large trace change predicted (9.41099e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051417901643 (9.41552e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.486048689997983 (0.000109728% change) linmin: converged after 3 iterations. iteration 201: trace = 2.486047080923402 (6.47242e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045440934854 (6.59677e-05% change) large trace change predicted (0.000223886%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039871061164 (0.000224046% change) linmin: converged after 7 iterations. iteration 204: trace = 2.486038821172345 (4.22314e-05% change) large trace change predicted (0.000196777%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033927449906 (0.000196848% change) linmin: converged after 4 iterations. iteration 206: trace = 2.486031259465081 (0.000107319% change) linmin: converged after 4 iterations. iteration 207: trace = 2.486030208919443 (4.2258e-05% change) large trace change predicted (8.90378e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.486027995662516 (8.90278e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.486023595821127 (0.000176983% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.48602221622248 (5.54942e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.486020193779634 (8.13526e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486018615208763 (6.34979e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486017623461032 (3.9893e-05% change) linmin: converged after 7 iterations. iteration 214: trace = 2.486015758475268 (7.5019e-05% change) linmin: converged after 11 iterations. iteration 215: trace = 2.486013062737451 (0.000108436% change) linmin: converged after 3 iterations. iteration 216: trace = 2.486012427793217 (2.55407e-05% change) large trace change predicted (8.33855e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.486010356092631 (8.33343e-05% change) linmin: converged after 7 iterations. iteration 218: trace = 2.486008523806358 (7.37039e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.486007943730261 (2.33336e-05% change) large trace change predicted (8.14635e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.486005919700803 (8.14169e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486005113825622 (3.24165e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.486003554796599 (6.27122e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.486002135269665 (5.71008e-05% change) linmin: converged after 5 iterations. iteration 224: trace = 2.486000544582272 (6.39858e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.485999265100617 (5.14675e-05% change) large trace change predicted (0.000141277%) linmin: converged after 3 iterations. iteration 226: trace = 2.485995754131309 (0.00014123% change) linmin: converged after 3 iterations. iteration 227: trace = 2.485994650077323 (4.44109e-05% change) large trace change predicted (0.000120953%) linmin: converged after 5 iterations. iteration 228: trace = 2.485991643900753 (0.000120925% change) linmin: converged after 3 iterations. iteration 229: trace = 2.485988454444235 (0.000128297% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987492488942 (3.86951e-05% change) large trace change predicted (0.000107087%) linmin: converged after 3 iterations. iteration 231: trace = 2.485984830293292 (0.000107088% change) linmin: converged after 4 iterations. iteration 232: trace = 2.485982452563399 (9.56454e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.485981775459245 (2.72369e-05% change) large trace change predicted (6.85728e-05%) linmin: converged after 3 iterations. iteration 234: trace = 2.485980070745883 (6.85731e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.485977999786547 (8.33056e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.485977372542987 (2.52313e-05% change) large trace change predicted (8.373e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975290555475 (8.37493e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.48597325556211 (8.1859e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.485971989588823 (5.09247e-05% change) linmin: converged after 3 iterations. iteration 240: trace = 2.485970544637855 (5.81242e-05% change) linmin: converged after 5 iterations. iteration 241: trace = 2.48596954925589 (4.004e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968706115204 (3.3916e-05% change) large trace change predicted (7.68241e-05%) linmin: converged after 5 iterations. iteration 243: trace = 2.485966796349555 (7.68218e-05% change) linmin: converged after 3 iterations. iteration 244: trace = 2.485965807859631 (3.97628e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.485964744980148 (4.27552e-05% change) large trace change predicted (0.000107634%) linmin: converged after 3 iterations. iteration 246: trace = 2.485962069448447 (0.000107626% change) linmin: converged after 4 iterations. iteration 247: trace = 2.485959770805009 (9.2465e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.485957692566041 (8.35991e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.48595477429946 (0.00011739% change) linmin: converged after 4 iterations. iteration 250: trace = 2.485954003590547 (3.10025e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.485952725488318 (5.1413e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.485950466837122 (9.08566e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 2.485949884091012 (2.34416e-05% change) large trace change predicted (8.95053e-05%) linmin: converged after 3 iterations. iteration 254: trace = 2.48594765825053 (8.95369e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945876492145 (7.16732e-05% change) linmin: converged after 2 iterations. iteration 256: trace = 2.485945285374206 (2.37784e-05% change) large trace change predicted (6.28743e-05%) linmin: converged after 4 iterations. iteration 257: trace = 2.485943722309259 (6.28761e-05% change) linmin: converged after 19 iterations. iteration 258: trace = 2.485942174305014 (6.22703e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941719193509 (1.83074e-05% change) large trace change predicted (5.32199e-05%) linmin: converged after 2 iterations. iteration 260: trace = 2.48594039617648 (5.322e-05% change) linmin: converged after 3 iterations. iteration 261: trace = 2.485938991334185 (5.65115e-05% change) linmin: converged after 2 iterations. iteration 262: trace = 2.485938273025941 (2.88949e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.485936873509588 (5.62973e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.485935222214477 (6.64255e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.485934508150736 (2.87242e-05% change) large trace change predicted (0.000121973%) linmin: converged after 6 iterations. iteration 266: trace = 2.485931478721196 (0.000121863% change) linmin: converged after 5 iterations. iteration 267: trace = 2.48593014618339 (5.36032e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.485928698558641 (5.82327e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.485926281069135 (9.7247e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.485925069724442 (4.87281e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.485923893703144 (4.73072e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.48592194081605 (7.85578e-05% change) linmin: converged after 5 iterations. iteration 273: trace = 2.485921445755568 (1.99146e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.485920486196581 (3.85997e-05% change) large trace change predicted (7.79675e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.485918547889373 (7.79714e-05% change) linmin: converged after 7 iterations. iteration 276: trace = 2.485917738904546 (3.25427e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.485916853438797 (3.56193e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915945578258 (3.65202e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.485915682700261 (1.05747e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.485915472985246 (8.43613e-06% change) large trace change predicted (1.94027e-05%) linmin: converged after 3 iterations. iteration 281: trace = 2.485914990663785 (1.94022e-05% change) linmin: converged after 4 iterations. iteration 282: trace = 2.485914401740009 (2.36904e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913925144402 (1.91718e-05% change) large trace change predicted (3.99309e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.485912932645741 (3.99249e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.485911988993578 (3.796e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.485911499461933 (1.96922e-05% change) large trace change predicted (4.12506e-05%) linmin: converged after 4 iterations. iteration 287: trace = 2.485910473849652 (4.1257e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909962371048 (2.05751e-05% change) linmin: converged after 4 iterations. iteration 289: trace = 2.485909434333435 (2.12412e-05% change) large trace change predicted (6.19779e-05%) linmin: converged after 3 iterations. iteration 290: trace = 2.485907892858659 (6.20085e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907531439253 (1.45387e-05% change) large trace change predicted (6.59604e-05%) linmin: converged after 3 iterations. iteration 292: trace = 2.485905890455341 (6.60115e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485904533327354 (5.45929e-05% change) linmin: converged after 4 iterations. iteration 294: trace = 2.485903591058177 (3.79045e-05% change) linmin: converged after 4 iterations. iteration 295: trace = 2.485903228412475 (1.45881e-05% change) large trace change predicted (4.16453e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.485902192783825 (4.16601e-05% change) linmin: converged after 10 iterations. iteration 297: trace = 2.485901734102422 (1.84513e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.485901385580713 (1.40199e-05% change) linmin: converged after 14 iterations. iteration 299: trace = 2.485900731121132 (2.63269e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.485900345587686 (1.55088e-05% change) linmin: converged after 4 iterations. iteration 301: trace = 2.48589976314975 (2.34297e-05% change) linmin: converged after 8 iterations. iteration 302: trace = 2.48589905400209 (2.85268e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.485898781372458 (1.0967e-05% change) large trace change predicted (2.43331e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.485898176514326 (2.43316e-05% change) linmin: converged after 5 iterations. iteration 305: trace = 2.48589734493583 (3.34518e-05% change) linmin: converged after 24 iterations. iteration 306: trace = 2.485896898833742 (1.79453e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485896446348778 (1.82021e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.485895713257363 (2.949e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.485895488453706 (9.04317e-06% change) large trace change predicted (2.37219e-05%) linmin: converged after 7 iterations. iteration 310: trace = 2.485894898890575 (2.37163e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485894295846071 (2.42587e-05% change) linmin: converged after 4 iterations. iteration 312: trace = 2.485893762506547 (2.14546e-05% change) linmin: converged after 5 iterations. iteration 313: trace = 2.485893257166303 (2.03283e-05% change) linmin: converged after 5 iterations. iteration 314: trace = 2.485892799524416 (1.84096e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.485892526782136 (1.09716e-05% change) linmin: converged after 4 iterations. iteration 316: trace = 2.485892132634833 (1.58554e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.485891659444516 (1.9035e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.485891560389247 (3.9847e-06% change) large trace change predicted (1.89327e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.485891089824201 (1.89294e-05% change) linmin: converged after 13 iterations. iteration 320: trace = 2.485890924109009 (6.66623e-06% change) large trace change predicted (1.4237e-05%) linmin: converged after 3 iterations. iteration 321: trace = 2.485890570249989 (1.42347e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.485889979333378 (2.37708e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889430186227 (2.20906e-05% change) linmin: converged after 3 iterations. iteration 324: trace = 2.485889268839488 (6.4905e-06% change) large trace change predicted (1.49592e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.485888897018135 (1.49573e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.485888492092136 (1.6289e-05% change) linmin: converged after 4 iterations. iteration 327: trace = 2.485888363670589 (5.16602e-06% change) large trace change predicted (1.90808e-05%) linmin: converged after 3 iterations. iteration 328: trace = 2.485887889371196 (1.90797e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.48588724250533 (2.60215e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.485887061517159 (7.28063e-06% change) large trace change predicted (2.89509e-05%) linmin: converged after 3 iterations. iteration 331: trace = 2.485886341782903 (2.89528e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.48588604598831 (1.1899e-05% change) linmin: converged after 2 iterations. iteration 333: trace = 2.485885829240313 (8.71914e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.485885451713162 (1.51868e-05% change) linmin: converged after 15 iterations. iteration 335: trace = 2.485885348996066 (4.13201e-06% change) large trace change predicted (8.95798e-06%) linmin: converged after 5 iterations. iteration 336: trace = 2.48588512628 (8.95923e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.48588492298202 (8.17809e-06% change) linmin: converged after 4 iterations. iteration 338: trace = 2.485884785499945 (5.53051e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884648355258 (5.51694e-06% change) large trace change predicted (1.22986e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.485884342550944 (1.23016e-05% change) linmin: converged after 22 iterations. iteration 341: trace = 2.48588422302816 (4.80806e-06% change) large trace change predicted (1.08737e-05%) linmin: converged after 4 iterations. iteration 342: trace = 2.485883952677132 (1.08754e-05% change) linmin: converged after 5 iterations. iteration 343: trace = 2.485883706495886 (9.90317e-06% change) linmin: converged after 10 iterations. iteration 344: trace = 2.485883590371511 (4.67135e-06% change) large trace change predicted (1.22104e-05%) linmin: converged after 3 iterations. iteration 345: trace = 2.485883286760682 (1.22134e-05% change) linmin: converged after 3 iterations. iteration 346: trace = 2.485882928038568 (1.44304e-05% change) linmin: converged after 2 iterations. iteration 347: trace = 2.485882825995184 (4.10492e-06% change) large trace change predicted (9.88904e-06%) linmin: converged after 4 iterations. iteration 348: trace = 2.485882580172384 (9.88875e-06% change) large trace change predicted (2.42898e-05%) linmin: converged after 4 iterations. iteration 349: trace = 2.485881976336026 (2.42906e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.485881669224584 (1.23542e-05% change) linmin: converged after 16 iterations. iteration 351: trace = 2.485881407692339 (1.05207e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.48588125989129 (5.94562e-06% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881113994442 (5.86902e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485880915028997 (8.00382e-06% change) linmin: converged after 13 iterations. iteration 355: trace = 2.485880806082655 (4.38261e-06% change) linmin: converged after 4 iterations. iteration 356: trace = 2.485880603173792 (8.16245e-06% change) linmin: converged after 4 iterations. iteration 357: trace = 2.485880392689719 (8.46718e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880330444767 (2.50394e-06% change) large trace change predicted (5.98537e-06%) linmin: converged after 4 iterations. iteration 359: trace = 2.485880181672343 (5.9847e-06% change) linmin: converged after 4 iterations. iteration 360: trace = 2.485879982366222 (8.01753e-06% change) linmin: converged after 4 iterations. iteration 361: trace = 2.485879933400065 (1.96977e-06% change) large trace change predicted (7.55067e-06%) linmin: converged after 5 iterations. iteration 362: trace = 2.485879745732509 (7.54934e-06% change) linmin: converged after 4 iterations. iteration 363: trace = 2.485879638270596 (4.32289e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.485879589666029 (1.95523e-06% change) large trace change predicted (7.83073e-06%) linmin: converged after 3 iterations. iteration 365: trace = 2.485879395023848 (7.82991e-06% change) linmin: converged after 5 iterations. iteration 366: trace = 2.485879086349421 (1.24171e-05% change) linmin: converged after 4 iterations. iteration 367: trace = 2.485879014993496 (2.87045e-06% change) large trace change predicted (1.70608e-05%) linmin: converged after 4 iterations. iteration 368: trace = 2.485878590941155 (1.70584e-05% change) linmin: converged after 3 iterations. iteration 369: trace = 2.485878321085622 (1.08555e-05% change) linmin: converged after 4 iterations. iteration 370: trace = 2.485878190497506 (5.2532e-06% change) large trace change predicted (1.23021e-05%) linmin: converged after 4 iterations. iteration 371: trace = 2.485877884703067 (1.23013e-05% change) linmin: converged after 3 iterations. iteration 372: trace = 2.485877715457799 (6.80827e-06% change) linmin: converged after 2 iterations. iteration 373: trace = 2.485877567571281 (5.94907e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.485877367546325 (8.04645e-06% change) linmin: converged after 2 iterations. iteration 375: trace = 2.485877262717312 (4.21698e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.485877130627584 (5.31361e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.485876925746157 (8.24182e-06% change) linmin: converged after 5 iterations. iteration 378: trace = 2.48587665109057 (1.10486e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.485876590719742 (2.42855e-06% change) large trace change predicted (7.22558e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.48587641107642 (7.22656e-06% change) linmin: converged after 3 iterations. iteration 381: trace = 2.485876297963566 (4.55022e-06% change) linmin: converged after 2 iterations. iteration 382: trace = 2.485876248462839 (1.99128e-06% change) large trace change predicted (7.2274e-06%) linmin: converged after 4 iterations. iteration 383: trace = 2.485876068785394 (7.22793e-06% change) linmin: converged after 4 iterations. iteration 384: trace = 2.485875871224662 (7.94733e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485875762536538 (4.37223e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.485875559809006 (8.15518e-06% change) linmin: converged after 3 iterations. iteration 387: trace = 2.485875323551403 (9.504e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.485875188627442 (5.42762e-06% change) large trace change predicted (1.25679e-05%) linmin: converged after 3 iterations. iteration 389: trace = 2.485874876194489 (1.25683e-05% change) linmin: converged after 3 iterations. iteration 390: trace = 2.485874810224237 (2.6538e-06% change) large trace change predicted (7.26349e-06%) linmin: converged after 3 iterations. iteration 391: trace = 2.48587462966779 (7.2633e-06% change) linmin: converged after 3 iterations. iteration 392: trace = 2.485874414255695 (8.66545e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.485874276563401 (5.53899e-06% change) linmin: converged after 4 iterations. iteration 394: trace = 2.485874149337438 (5.11796e-06% change) linmin: converged after 5 iterations. iteration 395: trace = 2.48587392696671 (8.94537e-06% change) linmin: converged after 3 iterations. iteration 396: trace = 2.485873814646476 (4.51834e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873699367962 (4.63734e-06% change) linmin: converged after 6 iterations. iteration 398: trace = 2.485873537083326 (6.52827e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873474701231 (2.50946e-06% change) large trace change predicted (5.21078e-06%) linmin: converged after 3 iterations. iteration 400: trace = 2.485873345163716 (5.21095e-06% change) linmin: converged after 4 iterations. iteration 401: trace = 2.485873208935552 (5.48009e-06% change) linmin: converged after 7 iterations. iteration 402: trace = 2.485873159800008 (1.97659e-06% change) large trace change predicted (5.13835e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.485873032077004 (5.13795e-06% change) linmin: converged after 4 iterations. iteration 404: trace = 2.485872851729248 (7.25491e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872802492827 (1.98065e-06% change) large trace change predicted (1.11259e-05%) linmin: converged after 9 iterations. iteration 406: trace = 2.485872526017482 (1.11219e-05% change) linmin: converged after 3 iterations. iteration 407: trace = 2.485872301660908 (9.02527e-06% change) linmin: converged after 2 iterations. iteration 408: trace = 2.485872214841907 (3.4925e-06% change) large trace change predicted (8.31509e-06%) linmin: converged after 3 iterations. iteration 409: trace = 2.485872008158806 (8.31431e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.485871781071257 (9.13513e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.485871741133583 (1.60659e-06% change) large trace change predicted (7.40222e-06%) linmin: converged after 4 iterations. iteration 412: trace = 2.485871557130938 (7.40194e-06% change) linmin: converged after 2 iterations. iteration 413: trace = 2.485871442492766 (4.61159e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871399289404 (1.73796e-06% change) large trace change predicted (8.07155e-06%) linmin: converged after 4 iterations. iteration 415: trace = 2.485871198619826 (8.0724e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.485871098257833 (4.0373e-06% change) linmin: converged after 3 iterations. iteration 417: trace = 2.485871014468307 (3.37063e-06% change) linmin: converged after 2 iterations. iteration 418: trace = 2.48587092557425 (3.57597e-06% change) linmin: converged after 24 iterations. iteration 419: trace = 2.485870892988587 (1.31083e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870868200333 (9.97166e-07% change) large trace change predicted (2.40203e-06%) linmin: converged after 4 iterations. iteration 421: trace = 2.48587080848954 (2.40201e-06% change) linmin: converged after 4 iterations. iteration 422: trace = 2.48587073730337 (2.86363e-06% change) linmin: converged after 5 iterations. iteration 423: trace = 2.485870670492467 (2.68763e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.485870564466009 (4.26516e-06% change) linmin: converged after 17 iterations. iteration 425: trace = 2.485870506648167 (2.32586e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870409710816 (3.89953e-06% change) linmin: converged after 2 iterations. iteration 427: trace = 2.485870278335689 (5.28487e-06% change) linmin: converged after 5 iterations. iteration 428: trace = 2.485870242837137 (1.42801e-06% change) large trace change predicted (3.03835e-06%) linmin: converged after 2 iterations. iteration 429: trace = 2.485870167303155 (3.03853e-06% change) large trace change predicted (6.47367e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.485870006348556 (6.47478e-06% change) linmin: converged after 2 iterations. iteration 431: trace = 2.485869957553353 (1.9629e-06% change) large trace change predicted (6.82204e-06%) linmin: converged after 3 iterations. iteration 432: trace = 2.48586978793034 (6.82349e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.485869663325413 (5.01253e-06% change) linmin: converged after 4 iterations. iteration 434: trace = 2.485869618610669 (1.79876e-06% change) large trace change predicted (3.70293e-06%) linmin: converged after 4 iterations. iteration 435: trace = 2.485869526541457 (3.7037e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.485869418331876 (4.35299e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.485869399134981 (7.72241e-07% change) large trace change predicted (3.13795e-06%) linmin: converged after 2 iterations. iteration 438: trace = 2.485869321127125 (3.13805e-06% change) linmin: converged after 5 iterations. iteration 439: trace = 2.485869252624003 (2.7557e-06% change) linmin: converged after 3 iterations. iteration 440: trace = 2.485869225819167 (1.07829e-06% change) large trace change predicted (3.36737e-06%) linmin: converged after 11 iterations. iteration 441: trace = 2.485869142112996 (3.36728e-06% change) linmin: converged after 2 iterations. iteration 442: trace = 2.485869076949926 (2.62134e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.485869031178003 (1.84128e-06% change) linmin: converged after 3 iterations. iteration 444: trace = 2.485868946212049 (3.41796e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.485868889234901 (2.29204e-06% change) linmin: converged after 3 iterations. iteration 446: trace = 2.485868852630268 (1.47251e-06% change) large trace change predicted (3.60155e-06%) linmin: converged after 3 iterations. iteration 447: trace = 2.485868763103367 (3.60143e-06% change) linmin: converged after 4 iterations. iteration 448: trace = 2.485868671168347 (3.69831e-06% change) linmin: converged after 11 iterations. iteration 449: trace = 2.485868649244166 (8.81953e-07% change) large trace change predicted (3.01529e-06%) linmin: converged after 5 iterations. iteration 450: trace = 2.485868574294427 (3.01503e-06% change) linmin: converged after 3 iterations. iteration 451: trace = 2.485868513381118 (2.45038e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.485868487815276 (1.02845e-06% change) large trace change predicted (3.69985e-06%) linmin: converged after 12 iterations. iteration 453: trace = 2.485868395857671 (3.69921e-06% change) linmin: converged after 4 iterations. iteration 454: trace = 2.48586833344657 (2.51064e-06% change) linmin: converged after 4 iterations. iteration 455: trace = 2.485868310904249 (9.06819e-07% change) large trace change predicted (1.85994e-06%) linmin: converged after 7 iterations. iteration 456: trace = 2.485868264669869 (1.85989e-06% change) linmin: converged after 3 iterations. iteration 457: trace = 2.485868219111006 (1.83271e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.485868204101533 (6.03792e-07% change) large trace change predicted (2.20274e-06%) linmin: converged after 4 iterations. iteration 459: trace = 2.485868149347551 (2.20261e-06% change) linmin: converged after 6 iterations. iteration 460: trace = 2.485868132475171 (6.78732e-07% change) large trace change predicted (2.37828e-06%) linmin: converged after 4 iterations. iteration 461: trace = 2.485868073358706 (2.3781e-06% change) linmin: converged after 3 iterations. iteration 462: trace = 2.485868019864158 (2.15195e-06% change) linmin: converged after 5 iterations. iteration 463: trace = 2.485867992539388 (1.0992e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.4858679492447 (1.74163e-06% change) linmin: converged after 9 iterations. iteration 465: trace = 2.485867902639301 (1.87481e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867869262748 (1.34265e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867832689912 (1.47123e-06% change) linmin: converged after 2 iterations. iteration 468: trace = 2.485867780160517 (2.11312e-06% change) linmin: converged after 10 iterations. iteration 469: trace = 2.485867723209456 (2.29099e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.485867681818903 (1.66503e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.485867601011824 (3.25066e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867558635174 (1.7047e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.485867534780342 (9.59618e-07% change) linmin: converged after 5 iterations. iteration 474: trace = 2.485867511049391 (9.54635e-07% change) linmin: converged after 4 iterations. iteration 475: trace = 2.485867499066259 (4.8205e-07% change) linmin: converged after 8 iterations. iteration 476: trace = 2.485867476836627 (8.9424e-07% change) linmin: converged after 21 iterations. iteration 477: trace = 2.485867454162167 (9.12135e-07% change) linmin: converged after 11 iterations. iteration 478: trace = 2.485867446297131 (3.1639e-07% change) large trace change predicted (9.87528e-07%) linmin: converged after 5 iterations. iteration 479: trace = 2.485867421747051 (9.87586e-07% change) linmin: converged after 6 iterations. iteration 480: trace = 2.485867390981578 (1.23762e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.485867382476846 (3.42123e-07% change) large trace change predicted (1.46357e-06%) linmin: converged after 3 iterations. iteration 482: trace = 2.485867346092096 (1.46366e-06% change) linmin: converged after 3 iterations. iteration 483: trace = 2.485867319377161 (1.07467e-06% change) linmin: converged after 7 iterations. iteration 484: trace = 2.485867305950126 (5.40135e-07% change) large trace change predicted (1.21086e-06%) linmin: converged after 3 iterations. iteration 485: trace = 2.485867275849401 (1.21087e-06% change) linmin: converged after 2 iterations. iteration 486: trace = 2.485867236464549 (1.58435e-06% change) linmin: converged after 3 iterations. iteration 487: trace = 2.485867227937327 (3.43028e-07% change) large trace change predicted (1.36538e-06%) linmin: converged after 3 iterations. iteration 488: trace = 2.485867193996099 (1.36537e-06% change) large trace change predicted (6.02167e-06%) linmin: converged after 3 iterations. iteration 489: trace = 2.485867044307347 (6.02159e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.485866995602273 (1.95928e-06% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485866938290163 (2.30552e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.485866906229133 (1.28973e-06% change) linmin: converged after 7 iterations. iteration 493: trace = 2.485866898386359 (3.15495e-07% change) large trace change predicted (1.16191e-06%) linmin: converged after 3 iterations. iteration 494: trace = 2.485866869502813 (1.16191e-06% change) linmin: converged after 12 iterations. iteration 495: trace = 2.485866853372412 (6.48884e-07% change) linmin: converged after 21 iterations. iteration 496: trace = 2.485866845895622 (3.00772e-07% change) large trace change predicted (8.49535e-07%) linmin: converged after 4 iterations. iteration 497: trace = 2.485866824778151 (8.49501e-07% change) linmin: converged after 4 iterations. iteration 498: trace = 2.485866813095911 (4.69946e-07% change) linmin: converged after 17 iterations. iteration 499: trace = 2.485866796494056 (6.6785e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485866769971312 (1.06694e-06% change) linmin: converged after 28 iterations. iteration 501: trace = 2.485866758355268 (4.67283e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866743816896 (5.84841e-07% change) linmin: converged after 4 iterations. iteration 503: trace = 2.485866728688511 (6.08576e-07% change) linmin: converged after 4 iterations. iteration 504: trace = 2.485866720507349 (3.29107e-07% change) linmin: converged after 4 iterations. iteration 505: trace = 2.485866705957569 (5.853e-07% change) linmin: converged after 9 iterations. iteration 506: trace = 2.485866680402299 (1.02802e-06% change) linmin: converged after 5 iterations. iteration 507: trace = 2.485866669333425 (4.45272e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866651605686 (7.13141e-07% change) large trace change predicted (1.48735e-06%) linmin: converged after 6 iterations. iteration 509: trace = 2.48586661463297 (1.48732e-06% change) linmin: converged after 27 iterations. iteration 510: trace = 2.48586660268472 (4.80647e-07% change) large trace change predicted (1.77628e-06%) linmin: converged after 10 iterations. iteration 511: trace = 2.485866558530899 (1.77619e-06% change) linmin: converged after 2 iterations. iteration 512: trace = 2.485866531454568 (1.08921e-06% change) linmin: converged after 3 iterations. iteration 513: trace = 2.485866523759244 (3.09563e-07% change) large trace change predicted (6.2837e-07%) linmin: converged after 5 iterations. iteration 514: trace = 2.485866508138248 (6.28392e-07% change) linmin: converged after 14 iterations. iteration 515: trace = 2.485866487557863 (8.27896e-07% change) linmin: converged after 7 iterations. iteration 516: trace = 2.485866482389464 (2.07911e-07% change) large trace change predicted (8.75123e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.485866460634314 (8.75154e-07% change) linmin: converged after 5 iterations. iteration 518: trace = 2.485866437836656 (9.17091e-07% change) linmin: converged after 2 iterations. iteration 519: trace = 2.485866423271067 (5.85936e-07% change) linmin: converged after 5 iterations. iteration 520: trace = 2.485866409724778 (5.44932e-07% change) linmin: converged after 2 iterations. iteration 521: trace = 2.48586638913299 (8.28355e-07% change) linmin: converged after 3 iterations. iteration 522: trace = 2.485866382636567 (2.61334e-07% change) large trace change predicted (8.39231e-07%) linmin: converged after 2 iterations. iteration 523: trace = 2.485866361774259 (8.39237e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.48586634441688 (6.98243e-07% change) linmin: converged after 4 iterations. iteration 525: trace = 2.485866337156126 (2.92081e-07% change) large trace change predicted (8.44172e-07%) linmin: converged after 2 iterations. iteration 526: trace = 2.485866316170926 (8.44181e-07% change) linmin: converged after 6 iterations. iteration 527: trace = 2.48586628203324 (1.37327e-06% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866274930847 (2.85711e-07% change) large trace change predicted (1.81273e-06%) linmin: converged after 23 iterations. iteration 529: trace = 2.485866229867889 (1.81277e-06% change) linmin: converged after 2 iterations. iteration 530: trace = 2.485866214827042 (6.05055e-07% change) linmin: converged after 8 iterations. iteration 531: trace = 2.485866202713343 (4.87303e-07% change) linmin: converged after 4 iterations. iteration 532: trace = 2.48586618322909 (7.83801e-07% change) linmin: converged after 5 iterations. iteration 533: trace = 2.485866167929981 (6.15444e-07% change) linmin: converged after 2 iterations. iteration 534: trace = 2.485866157208128 (4.31313e-07% change) linmin: converged after 3 iterations. iteration 535: trace = 2.485866139616398 (7.0767e-07% change) linmin: converged after 3 iterations. iteration 536: trace = 2.485866123349954 (6.54357e-07% change) linmin: converged after 8 iterations. iteration 537: trace = 2.485866118010444 (2.14795e-07% change) large trace change predicted (9.24068e-07%) linmin: converged after 6 iterations. iteration 538: trace = 2.485866095038948 (9.24084e-07% change) linmin: converged after 2 iterations. iteration 539: trace = 2.485866084165904 (4.37395e-07% change) linmin: converged after 5 iterations. iteration 540: trace = 2.485866072532314 (4.67989e-07% change) linmin: converged after 4 iterations. iteration 541: trace = 2.485866057917203 (5.87928e-07% change) linmin: converged after 21 iterations. iteration 542: trace = 2.485866048927996 (3.61613e-07% change) linmin: converged after 4 iterations. iteration 543: trace = 2.485866036828488 (4.86732e-07% change) linmin: converged after 3 iterations. iteration 544: trace = 2.485866020672921 (6.49897e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.485866001951086 (7.53131e-07% change) linmin: converged after 3 iterations. iteration 546: trace = 2.485865991708209 (4.12045e-07% change) large trace change predicted (8.42016e-07%) linmin: converged after 3 iterations. iteration 547: trace = 2.485865970777008 (8.42008e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.4858659509295 (7.98414e-07% change) linmin: converged after 27 iterations. iteration 549: trace = 2.485865929634681 (8.56636e-07% change) linmin: converged after 8 iterations. iteration 550: trace = 2.485865901841485 (1.11805e-06% change) linmin: converged after 4 iterations. iteration 551: trace = 2.485865897050105 (1.92745e-07% change) large trace change predicted (7.18279e-07%) linmin: converged after 3 iterations. iteration 552: trace = 2.485865879195082 (7.18262e-07% change) linmin: converged after 19 iterations. iteration 553: trace = 2.485865867024074 (4.89608e-07% change) linmin: converged after 3 iterations. iteration 554: trace = 2.485865861654334 (2.16011e-07% change) large trace change predicted (5.65644e-07%) linmin: converged after 2 iterations. iteration 555: trace = 2.485865847592978 (5.65652e-07% change) linmin: converged after 17 iterations. iteration 556: trace = 2.485865830804631 (6.75352e-07% change) linmin: converged after 10 iterations. iteration 557: trace = 2.485865826867725 (1.58372e-07% change) large trace change predicted (3.47037e-07%) linmin: converged after 2 iterations. iteration 558: trace = 2.485865818240735 (3.47042e-07% change) linmin: converged after 3 iterations. iteration 559: trace = 2.48586580843979 (3.94267e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865806325391 (8.50568e-08% change) large trace change predicted (2.89473e-07%) linmin: converged after 3 iterations. iteration 561: trace = 2.485865799129543 (2.89471e-07% change) linmin: converged after 31 iterations. iteration 562: trace = 2.485865795173777 (1.5913e-07% change) large trace change predicted (3.339e-07%) linmin: converged after 3 iterations. iteration 563: trace = 2.485865786873618 (3.33894e-07% change) linmin: converged after 16 iterations. iteration 564: trace = 2.485865776387567 (4.21827e-07% change) linmin: converged after 3 iterations. iteration 565: trace = 2.485865769452452 (2.78982e-07% change) linmin: converged after 5 iterations. iteration 566: trace = 2.485865758621958 (4.35683e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.485865746397387 (4.91763e-07% change) linmin: converged after 4 iterations. iteration 568: trace = 2.485865742767442 (1.46023e-07% change) large trace change predicted (3.58327e-07%) linmin: converged after 2 iterations. iteration 569: trace = 2.485865733859904 (3.58327e-07% change) linmin: converged after 2 iterations. iteration 570: trace = 2.485865719677149 (5.70536e-07% change) linmin: converged after 5 iterations. iteration 571: trace = 2.485865714084909 (2.24961e-07% change) large trace change predicted (7.29157e-07%) linmin: converged after 3 iterations. iteration 572: trace = 2.485865695958568 (7.29176e-07% change) linmin: converged after 7 iterations. iteration 573: trace = 2.48586567898703 (6.82721e-07% change) linmin: converged after 2 iterations. iteration 574: trace = 2.485865674633938 (1.75114e-07% change) large trace change predicted (4.39688e-07%) linmin: converged after 24 iterations. iteration 575: trace = 2.48586566370362 (4.39699e-07% change) linmin: converged after 16 iterations. iteration 576: trace = 2.485865654568823 (3.67469e-07% change) linmin: converged after 6 iterations. iteration 577: trace = 2.485865652057704 (1.01016e-07% change) large trace change predicted (4.30185e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.485865641363722 (4.30191e-07% change) linmin: converged after 2 iterations. iteration 579: trace = 2.485865632826076 (3.43448e-07% change) linmin: converged after 4 iterations. iteration 580: trace = 2.485865628951315 (1.55872e-07% change) linmin: converged after 4 iterations. iteration 581: trace = 2.485865621549947 (2.97738e-07% change) linmin: converged after 8 iterations. iteration 582: trace = 2.485865611920554 (3.87366e-07% change) linmin: converged after 2 iterations. iteration 583: trace = 2.485865609519673 (9.65813e-08% change) large trace change predicted (3.65187e-07%) linmin: converged after 7 iterations. iteration 584: trace = 2.485865600441698 (3.65184e-07% change) linmin: converged after 6 iterations. iteration 585: trace = 2.485865593748419 (2.69253e-07% change) linmin: converged after 3 iterations. iteration 586: trace = 2.485865590988462 (1.11026e-07% change) large trace change predicted (3.35066e-07%) linmin: converged after 5 iterations. iteration 587: trace = 2.48586558265926 (3.35062e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.485865573613637 (3.63882e-07% change) linmin: converged after 10 iterations. iteration 589: trace = 2.485865569223128 (1.76619e-07% change) linmin: converged after 6 iterations. iteration 590: trace = 2.485865563342099 (2.36579e-07% change) linmin: converged after 5 iterations. iteration 591: trace = 2.485865554255959 (3.65512e-07% change) linmin: converged after 9 iterations. iteration 592: trace = 2.485865549891721 (1.75562e-07% change) linmin: converged after 6 iterations. iteration 593: trace = 2.48586554458525 (2.13466e-07% change) linmin: converged after 3 iterations. iteration 594: trace = 2.485865535299875 (3.73527e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865533303421 (8.03122e-08% change) large trace change predicted (2.22886e-07%) linmin: converged after 4 iterations. iteration 596: trace = 2.485865527762838 (2.22883e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865522890621 (1.95997e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.485865521615165 (5.13083e-08% change) large trace change predicted (2.51389e-07%) linmin: converged after 25 iterations. iteration 599: trace = 2.485865515366078 (2.51385e-07% change) linmin: converged after 9 iterations. iteration 600: trace = 2.485865508971448 (2.5724e-07% change) linmin: converged after 7 iterations. iteration 601: trace = 2.485865506734555 (8.99845e-08% change) large trace change predicted (3.24398e-07%) linmin: converged after 4 iterations. iteration 602: trace = 2.485865498670696 (3.24388e-07% change) linmin: converged after 2 iterations. iteration 603: trace = 2.485865494929117 (1.50514e-07% change) linmin: converged after 4 iterations. iteration 604: trace = 2.48586549250878 (9.73639e-08% change) large trace change predicted (2.35372e-07%) linmin: converged after 6 iterations. iteration 605: trace = 2.485865486657847 (2.35368e-07% change) linmin: converged after 4 iterations. iteration 606: trace = 2.485865482108319 (1.83016e-07% change) linmin: converged after 7 iterations. iteration 607: trace = 2.485865480408511 (6.83789e-08% change) large trace change predicted (2.08823e-07%) linmin: converged after 3 iterations. iteration 608: trace = 2.485865475217473 (2.08822e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865467125627 (3.25514e-07% change) linmin: converged after 2 iterations. iteration 610: trace = 2.48586546448575 (1.06195e-07% change) large trace change predicted (3.0271e-07%) linmin: converged after 3 iterations. iteration 611: trace = 2.48586545696076 (3.02711e-07% change) linmin: converged after 3 iterations. iteration 612: trace = 2.485865452470194 (1.80644e-07% change) linmin: converged after 4 iterations. iteration 613: trace = 2.485865451256426 (4.88268e-08% change) large trace change predicted (1.17761e-07%) linmin: converged after 3 iterations. iteration 614: trace = 2.485865448329036 (1.17761e-07% change) linmin: converged after 3 iterations. iteration 615: trace = 2.485865445631164 (1.08529e-07% change) linmin: converged after 7 iterations. iteration 616: trace = 2.485865444788572 (3.38953e-08% change) large trace change predicted (9.54637e-08%) linmin: converged after 4 iterations. iteration 617: trace = 2.485865442415456 (9.54644e-08% change) linmin: converged after 7 iterations. iteration 618: trace = 2.485865440576752 (7.39663e-08% change) linmin: converged after 5 iterations. iteration 619: trace = 2.485865437938789 (1.06119e-07% change) linmin: converged after 4 iterations. iteration 620: trace = 2.485865434973823 (1.19273e-07% change) linmin: converged after 20 iterations. iteration 621: trace = 2.485865430861256 (1.65438e-07% change) linmin: converged after 3 iterations. iteration 622: trace = 2.485865429950539 (3.66358e-08% change) large trace change predicted (1.53409e-07%) linmin: converged after 3 iterations. iteration 623: trace = 2.485865426136959 (1.53411e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.485865423648127 (1.00119e-07% change) linmin: converged after 6 iterations. iteration 625: trace = 2.485865422607089 (4.18783e-08% change) large trace change predicted (1.9141e-07%) linmin: converged after 11 iterations. iteration 626: trace = 2.485865417848899 (1.9141e-07% change) linmin: converged after 17 iterations. iteration 627: trace = 2.485865413244344 (1.85229e-07% change) linmin: converged after 4 iterations. iteration 628: trace = 2.485865411723958 (6.11612e-08% change) large trace change predicted (4.8881e-07%) linmin: converged after 3 iterations. iteration 629: trace = 2.485865399573166 (4.88795e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.485865391599619 (3.20755e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.485865390157747 (5.80028e-08% change) large trace change predicted (1.65943e-07%) linmin: converged after 6 iterations. iteration 632: trace = 2.485865386032626 (1.65943e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.485865383738405 (9.22906e-08% change) linmin: converged after 10 iterations. iteration 634: trace = 2.485865382363011 (5.53286e-08% change) linmin: converged after 3 iterations. iteration 635: trace = 2.485865380105592 (9.08102e-08% change) linmin: converged after 4 iterations. iteration 636: trace = 2.485865378603761 (6.04148e-08% change) linmin: converged after 10 iterations. iteration 637: trace = 2.485865377257064 (5.41742e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865374573586 (1.07949e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.485865373448378 (4.52643e-08% change) large trace change predicted (9.52108e-08%) linmin: converged after 9 iterations. iteration 640: trace = 2.48586537108161 (9.5209e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865368713205 (9.52749e-08% change) linmin: converged after 37 iterations. iteration 642: trace = 2.48586536738937 (5.32545e-08% change) linmin: converged after 3 iterations. iteration 643: trace = 2.485865365872047 (6.1038e-08% change) linmin: converged after 7 iterations. iteration 644: trace = 2.485865363304267 (1.03295e-07% change) linmin: converged after 2 iterations. iteration 645: trace = 2.485865362703472 (2.41684e-08% change) large trace change predicted (9.86441e-08%) linmin: converged after 15 iterations. iteration 646: trace = 2.485865360251333 (9.86433e-08% change) linmin: converged after 16 iterations. iteration 647: trace = 2.485865357872203 (9.57063e-08% change) linmin: converged after 4 iterations. iteration 648: trace = 2.485865356700049 (4.71527e-08% change) large trace change predicted (1.39758e-07%) linmin: converged after 10 iterations. iteration 649: trace = 2.4858653532259 (1.39756e-07% change) linmin: converged after 20 iterations. iteration 650: trace = 2.485865349774871 (1.38826e-07% change) linmin: converged after 2 iterations. iteration 651: trace = 2.485865348177105 (6.4274e-08% change) linmin: converged after 4 iterations. iteration 652: trace = 2.485865346313848 (7.49541e-08% change) linmin: converged after 4 iterations. iteration 653: trace = 2.485865343459066 (1.14841e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.485865343006786 (1.81941e-08% change) large trace change predicted (8.60996e-08%) linmin: converged after 4 iterations. iteration 655: trace = 2.48586534086645 (8.61002e-08% change) linmin: converged after 4 iterations. iteration 656: trace = 2.48586533966388 (4.83763e-08% change) linmin: converged after 9 iterations. iteration 657: trace = 2.485865338131713 (6.16352e-08% change) linmin: converged after 7 iterations. iteration 658: trace = 2.485865335496106 (1.06024e-07% change) linmin: converged after 8 iterations. iteration 659: trace = 2.48586533218883 (1.33043e-07% change) linmin: converged after 7 iterations. iteration 660: trace = 2.485865329622929 (1.0322e-07% change) linmin: converged after 2 iterations. iteration 661: trace = 2.485865328717176 (3.64361e-08% change) large trace change predicted (1.10371e-07%) linmin: converged after 4 iterations. iteration 662: trace = 2.485865325973509 (1.10371e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.485865324056339 (7.71228e-08% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865323048082 (4.05596e-08% change) large trace change predicted (1.24872e-07%) linmin: converged after 8 iterations. iteration 665: trace = 2.48586531994395 (1.24871e-07% change) linmin: converged after 11 iterations. iteration 666: trace = 2.485865317502457 (9.8215e-08% change) linmin: converged after 9 iterations. iteration 667: trace = 2.485865315051195 (9.8608e-08% change) linmin: converged after 8 iterations. iteration 668: trace = 2.48586531234543 (1.08846e-07% change) linmin: converged after 4 iterations. iteration 669: trace = 2.485865310144799 (8.85257e-08% change) linmin: converged after 4 iterations. iteration 670: trace = 2.485865309087649 (4.25265e-08% change) large trace change predicted (1.12941e-07%) linmin: converged after 4 iterations. iteration 671: trace = 2.485865306280064 (1.12942e-07% change) linmin: converged after 5 iterations. iteration 672: trace = 2.48586530489117 (5.58716e-08% change) linmin: converged after 5 iterations. iteration 673: trace = 2.485865304106197 (3.15774e-08% change) linmin: converged after 12 iterations. iteration 674: trace = 2.485865302565645 (6.19725e-08% change) linmin: converged after 4 iterations. iteration 675: trace = 2.48586530102952 (6.17944e-08% change) linmin: converged after 6 iterations. iteration 676: trace = 2.485865299629289 (5.63277e-08% change) linmin: converged after 4 iterations. iteration 677: trace = 2.485865297059584 (1.03373e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.485865296078896 (3.94505e-08% change) linmin: converged after 4 iterations. iteration 679: trace = 2.485865294630923 (5.82482e-08% change) linmin: converged after 4 iterations. iteration 680: trace = 2.485865292332846 (9.24458e-08% change) linmin: converged after 4 iterations. iteration 681: trace = 2.48586529081085 (6.1226e-08% change) linmin: converged after 10 iterations. iteration 682: trace = 2.485865289693503 (4.4948e-08% change) large trace change predicted (9.29507e-08%) linmin: converged after 10 iterations. iteration 683: trace = 2.485865287382898 (9.29497e-08% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865286362857 (4.10336e-08% change) large trace change predicted (8.7634e-08%) linmin: converged after 21 iterations. iteration 685: trace = 2.485865284184453 (8.76316e-08% change) linmin: converged after 7 iterations. iteration 686: trace = 2.485865281693105 (1.00221e-07% change) linmin: converged after 4 iterations. iteration 687: trace = 2.485865280932013 (3.06168e-08% change) large trace change predicted (1.24701e-07%) linmin: converged after 3 iterations. iteration 688: trace = 2.485865277832177 (1.24698e-07% change) linmin: converged after 5 iterations. iteration 689: trace = 2.485865275599449 (8.98169e-08% change) linmin: converged after 27 iterations. iteration 690: trace = 2.485865274933118 (2.68048e-08% change) linmin: converged after 3 iterations. iteration 691: trace = 2.485865273635502 (5.21998e-08% change) linmin: converged after 3 iterations. iteration 692: trace = 2.485865271889256 (7.0247e-08% change) linmin: converged after 2 iterations. iteration 693: trace = 2.485865271071042 (3.29147e-08% change) linmin: converged after 10 iterations. iteration 694: trace = 2.485865269783309 (5.18022e-08% change) linmin: converged after 12 iterations. iteration 695: trace = 2.485865267862458 (7.72709e-08% change) linmin: converged after 4 iterations. iteration 696: trace = 2.485865267203239 (2.65187e-08% change) linmin: converged after 4 iterations. iteration 697: trace = 2.48586526634835 (3.439e-08% change) linmin: converged after 7 iterations. iteration 698: trace = 2.485865265168203 (4.74743e-08% change) linmin: converged after 5 iterations. iteration 699: trace = 2.485865264015997 (4.63503e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.485865263503167 (2.06298e-08% change) linmin: converged after 5 iterations. iteration 701: trace = 2.485865262883102 (2.49436e-08% change) linmin: converged after 3 iterations. iteration 702: trace = 2.485865261964054 (3.69709e-08% change) linmin: converged after 29 iterations. iteration 703: trace = 2.485865261662715 (1.21221e-08% change) large trace change predicted (5.06008e-08%) linmin: converged after 6 iterations. iteration 704: trace = 2.48586526040487 (5.05999e-08% change) linmin: converged after 4 iterations. iteration 705: trace = 2.485865259394501 (4.06445e-08% change) linmin: converged after 8 iterations. iteration 706: trace = 2.485865258882475 (2.05975e-08% change) large trace change predicted (4.44167e-08%) linmin: converged after 4 iterations. iteration 707: trace = 2.485865257778344 (4.44164e-08% change) linmin: converged after 22 iterations. iteration 708: trace = 2.485865257038724 (2.9753e-08% change) linmin: converged after 2 iterations. iteration 709: trace = 2.485865256558415 (1.93216e-08% change) large trace change predicted (4.71424e-08%) linmin: converged after 22 iterations. iteration 710: trace = 2.485865255386515 (4.71426e-08% change) linmin: converged after 5 iterations. iteration 711: trace = 2.485865254643994 (2.98697e-08% change) linmin: converged after 28 iterations. iteration 712: trace = 2.485865253478523 (4.68839e-08% change) linmin: converged after 3 iterations. iteration 713: trace = 2.485865251642117 (7.38739e-08% change) linmin: converged after 25 iterations. iteration 714: trace = 2.4858652509528 (2.77294e-08% change) large trace change predicted (6.42911e-08%) linmin: converged after 26 iterations. iteration 715: trace = 2.485865249354598 (6.42916e-08% change) linmin: converged after 8 iterations. iteration 716: trace = 2.485865247635796 (6.9143e-08% change) linmin: converged after 2 iterations. iteration 717: trace = 2.485865246870241 (3.07963e-08% change) linmin: converged after 20 iterations. iteration 718: trace = 2.48586524627309 (2.40218e-08% change) large trace change predicted (5.84263e-08%) linmin: converged after 6 iterations. iteration 719: trace = 2.485865244820679 (5.84268e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865244454315 (1.47379e-08% change) large trace change predicted (5.03035e-08%) linmin: converged after 2 iterations. iteration 721: trace = 2.485865243203833 (5.03037e-08% change) linmin: converged after 6 iterations. iteration 722: trace = 2.485865242261895 (3.78918e-08% change) linmin: converged after 4 iterations. iteration 723: trace = 2.485865241441326 (3.30094e-08% change) linmin: converged after 5 iterations. iteration 724: trace = 2.48586524090476 (2.15847e-08% change) large trace change predicted (4.66357e-08%) linmin: converged after 6 iterations. iteration 725: trace = 2.485865239745464 (4.66355e-08% change) linmin: converged after 27 iterations. iteration 726: trace = 2.485865239403966 (1.37376e-08% change) linmin: converged after 9 iterations. iteration 727: trace = 2.485865238857147 (2.19971e-08% change) linmin: converged after 28 iterations. iteration 728: trace = 2.485865238162964 (2.79252e-08% change) linmin: converged after 4 iterations. iteration 729: trace = 2.485865237402879 (3.05763e-08% change) linmin: converged after 13 iterations. iteration 730: trace = 2.48586523718365 (8.81904e-09% change) large trace change predicted (3.32056e-08%) linmin: converged after 4 iterations. iteration 731: trace = 2.485865236358194 (3.3206e-08% change) linmin: converged after 5 iterations. iteration 732: trace = 2.485865235281301 (4.33207e-08% change) linmin: converged after 23 iterations. iteration 733: trace = 2.485865235011036 (1.0872e-08% change) large trace change predicted (2.80648e-08%) linmin: converged after 2 iterations. iteration 734: trace = 2.485865234313383 (2.80648e-08% change) linmin: converged after 5 iterations. iteration 735: trace = 2.485865233204276 (4.46165e-08% change) linmin: converged after 4 iterations. iteration 736: trace = 2.485865232890985 (1.26029e-08% change) large trace change predicted (2.81989e-08%) linmin: converged after 4 iterations. iteration 737: trace = 2.485865232189997 (2.8199e-08% change) linmin: converged after 10 iterations. iteration 738: trace = 2.485865231503688 (2.76084e-08% change) linmin: converged after 4 iterations. iteration 739: trace = 2.485865231252157 (1.01185e-08% change) large trace change predicted (2.28841e-08%) linmin: converged after 26 iterations. iteration 740: trace = 2.485865230683292 (2.2884e-08% change) linmin: converged after 4 iterations. iteration 741: trace = 2.485865229934733 (3.01126e-08% change) linmin: converged after 4 iterations. iteration 742: trace = 2.485865229495619 (1.76644e-08% change) linmin: converged after 5 iterations. iteration 743: trace = 2.485865228704153 (3.18386e-08% change) linmin: converged after 4 iterations. iteration 744: trace = 2.485865228325709 (1.52238e-08% change) linmin: converged after 19 iterations. iteration 745: trace = 2.485865228094491 (9.3013e-09% change) large trace change predicted (2.222e-08%) linmin: converged after 6 iterations. iteration 746: trace = 2.485865227542134 (2.22199e-08% change) linmin: converged after 3 iterations. iteration 747: trace = 2.485865227333807 (8.38047e-09% change) large trace change predicted (2.4606e-08%) linmin: converged after 6 iterations. iteration 748: trace = 2.485865226722134 (2.4606e-08% change) linmin: converged after 3 iterations. iteration 749: trace = 2.485865226006588 (2.87846e-08% change) linmin: converged after 12 iterations. iteration 750: trace = 2.485865225514641 (1.97898e-08% change) linmin: converged after 3 iterations. iteration 751: trace = 2.485865225132332 (1.53793e-08% change) linmin: converged after 3 iterations. iteration 752: trace = 2.485865224555674 (2.31975e-08% change) linmin: converged after 3 iterations. iteration 753: trace = 2.485865224123817 (1.73725e-08% change) linmin: converged after 3 iterations. iteration 754: trace = 2.485865223965052 (6.38669e-09% change) large trace change predicted (1.58203e-08%) linmin: converged after 4 iterations. iteration 755: trace = 2.485865223571781 (1.58203e-08% change) linmin: converged after 5 iterations. iteration 756: trace = 2.485865223233427 (1.36111e-08% change) linmin: converged after 4 iterations. iteration 757: trace = 2.485865223047756 (7.46905e-09% change) linmin: converged after 21 iterations. iteration 758: trace = 2.485865222852261 (7.86429e-09% change) large trace change predicted (2.0278e-08%) linmin: converged after 4 iterations. iteration 759: trace = 2.485865222348176 (2.0278e-08% change) linmin: converged after 4 iterations. iteration 760: trace = 2.485865222241806 (4.27901e-09% change) large trace change predicted (1.8926e-08%) linmin: converged after 4 iterations. iteration 761: trace = 2.485865221771324 (1.89263e-08% change) linmin: converged after 10 iterations. iteration 762: trace = 2.485865221430314 (1.3718e-08% change) linmin: converged after 12 iterations. iteration 763: trace = 2.485865221335375 (3.81914e-09% change) large trace change predicted (1.616e-08%) linmin: converged after 6 iterations. iteration 764: trace = 2.485865220933656 (1.61601e-08% change) linmin: converged after 11 iterations. iteration 765: trace = 2.485865220551839 (1.53595e-08% change) linmin: converged after 22 iterations. iteration 766: trace = 2.485865220374018 (7.15331e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.485865220026714 (1.39712e-08% change) linmin: converged after 4 iterations. iteration 768: trace = 2.485865219522971 (2.02643e-08% change) linmin: converged after 28 iterations. iteration 769: trace = 2.485865219248239 (1.10518e-08% change) resetting CG direction... linmin: converged after 25 iterations. iteration 770: trace = 2.485865218999262 (1.00157e-08% change) linmin: converged after 28 iterations. iteration 771: trace = 2.485865218605925 (1.58229e-08% change) linmin: converged after 23 iterations. iteration 772: trace = 2.485865218290823 (1.26758e-08% change) linmin: converged after 17 iterations. iteration 773: trace = 2.485865218140951 (6.02899e-09% change) large trace change predicted (1.21574e-08%) linmin: converged after 4 iterations. iteration 774: trace = 2.485865217838735 (1.21574e-08% change) linmin: converged after 4 iterations. iteration 775: trace = 2.485865217598878 (9.64885e-09% change) linmin: converged after 7 iterations. iteration 776: trace = 2.485865217518778 (3.2222e-09% change) large trace change predicted (1.08301e-08%) linmin: converged after 6 iterations. iteration 777: trace = 2.485865217249559 (1.083e-08% change) linmin: converged after 4 iterations. iteration 778: trace = 2.4858652169342 (1.26861e-08% change) linmin: converged after 19 iterations. iteration 779: trace = 2.485865216832316 (4.09856e-09% change) large trace change predicted (1.32469e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865216503016 (1.32469e-08% change) linmin: converged after 4 iterations. iteration 781: trace = 2.485865216312467 (7.6653e-09% change) linmin: converged after 4 iterations. iteration 782: trace = 2.48586521611623 (7.89412e-09% change) linmin: converged after 26 iterations. iteration 783: trace = 2.485865215919056 (7.9318e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.485865215780803 (5.56156e-09% change) linmin: converged after 8 iterations. iteration 785: trace = 2.485865215569981 (8.48085e-09% change) linmin: converged after 4 iterations. iteration 786: trace = 2.485865215198326 (1.49507e-08% change) linmin: converged after 3 iterations. iteration 787: trace = 2.48586521487833 (1.28726e-08% change) linmin: converged after 4 iterations. iteration 788: trace = 2.485865214653636 (9.03887e-09% change) linmin: converged after 4 iterations. iteration 789: trace = 2.485865214259918 (1.58383e-08% change) linmin: converged after 6 iterations. iteration 790: trace = 2.485865213919799 (1.36821e-08% change) linmin: converged after 13 iterations. iteration 791: trace = 2.485865213692551 (9.14159e-09% change) linmin: converged after 22 iterations. iteration 792: trace = 2.485865213357839 (1.34646e-08% change) linmin: converged after 18 iterations. iteration 793: trace = 2.48586521318427 (6.98223e-09% change) linmin: converged after 10 iterations. iteration 794: trace = 2.485865213068882 (4.64177e-09% change) large trace change predicted (1.26164e-08%) linmin: converged after 4 iterations. iteration 795: trace = 2.485865212755254 (1.26165e-08% change) linmin: converged after 8 iterations. iteration 796: trace = 2.485865212396201 (1.44438e-08% change) linmin: converged after 14 iterations. iteration 797: trace = 2.485865212302011 (3.789e-09% change) large trace change predicted (1.61467e-08%) linmin: converged after 4 iterations. iteration 798: trace = 2.485865211900624 (1.61468e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.485865211581054 (1.28555e-08% change) linmin: converged after 10 iterations. iteration 800: trace = 2.485865211479509 (4.0849e-09% change) large trace change predicted (1.04329e-08%) linmin: converged after 3 iterations. iteration 801: trace = 2.485865211220162 (1.04329e-08% change) linmin: converged after 23 iterations. iteration 802: trace = 2.485865210879477 (1.37049e-08% change) linmin: converged after 7 iterations. iteration 803: trace = 2.485865210799378 (3.22218e-09% change) large trace change predicted (1.41467e-08%) linmin: converged after 3 iterations. iteration 804: trace = 2.48586521044771 (1.41467e-08% change) linmin: converged after 26 iterations. iteration 805: trace = 2.485865210118034 (1.3262e-08% change) linmin: converged after 29 iterations. iteration 806: trace = 2.485865209807159 (1.25057e-08% change) linmin: converged after 9 iterations. iteration 807: trace = 2.485865209607202 (8.04376e-09% change) large trace change predicted (1.82637e-08%) linmin: converged after 16 iterations. iteration 808: trace = 2.485865209153191 (1.82637e-08% change) linmin: converged after 21 iterations. iteration 809: trace = 2.485865209069896 (3.35072e-09% change) large trace change predicted (9.16506e-09%) linmin: converged after 3 iterations. iteration 810: trace = 2.485865208842069 (9.16492e-09% change) linmin: converged after 15 iterations. iteration 811: trace = 2.485865208597573 (9.83547e-09% change) linmin: converged after 19 iterations. iteration 812: trace = 2.485865208520734 (3.091e-09% change) large trace change predicted (9.85895e-09%) linmin: converged after 4 iterations. iteration 813: trace = 2.485865208275652 (9.85905e-09% change) linmin: converged after 11 iterations. iteration 814: trace = 2.485865208005374 (1.08726e-08% change) linmin: converged after 21 iterations. iteration 815: trace = 2.485865207913692 (3.68812e-09% change) large trace change predicted (8.60866e-09%) linmin: converged after 4 iterations. iteration 816: trace = 2.485865207699692 (8.60871e-09% change) linmin: converged after 4 iterations. iteration 817: trace = 2.485865207358402 (1.37292e-08% change) linmin: converged after 20 iterations. iteration 818: trace = 2.485865207233217 (5.03586e-09% change) linmin: converged after 7 iterations. iteration 819: trace = 2.48586520700947 (9.0008e-09% change) linmin: converged after 21 iterations. iteration 820: trace = 2.485865206751594 (1.03737e-08% change) linmin: converged after 20 iterations. iteration 821: trace = 2.485865206648092 (4.16362e-09% change) large trace change predicted (9.74846e-09%) linmin: converged after 6 iterations. iteration 822: trace = 2.485865206405759 (9.74845e-09% change) linmin: converged after 5 iterations. iteration 823: trace = 2.48586520612709 (1.12101e-08% change) linmin: converged after 16 iterations. iteration 824: trace = 2.485865206049093 (3.13761e-09% change) large trace change predicted (1.75444e-08%) linmin: converged after 4 iterations. iteration 825: trace = 2.485865205612965 (1.75443e-08% change) linmin: converged after 27 iterations. iteration 826: trace = 2.485865205320726 (1.1756e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.485865205156312 (6.61395e-09% change) linmin: converged after 16 iterations. iteration 828: trace = 2.485865204906183 (1.00621e-08% change) linmin: converged after 6 iterations. iteration 829: trace = 2.485865204648364 (1.03714e-08% change) linmin: converged after 2 iterations. iteration 830: trace = 2.485865204574104 (2.98726e-09% change) linmin: converged after 3 iterations. iteration 831: trace = 2.48586520444993 (4.9952e-09% change) linmin: converged after 4 iterations. iteration 832: trace = 2.485865204291675 (6.3662e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.485865204193238 (3.95988e-09% change) linmin: converged after 8 iterations. iteration 834: trace = 2.485865204027766 (6.6565e-09% change) linmin: converged after 7 iterations. iteration 835: trace = 2.4858652037688 (1.04175e-08% change) linmin: converged after 2 iterations. iteration 836: trace = 2.48586520372862 (1.61635e-09% change) large trace change predicted (5.66422e-09%) linmin: converged after 17 iterations. iteration 837: trace = 2.485865203587815 (5.66421e-09% change) linmin: converged after 11 iterations. iteration 838: trace = 2.485865203483291 (4.20475e-09% change) linmin: converged after 4 iterations. iteration 839: trace = 2.485865203341133 (5.71865e-09% change) resetting CG direction... linmin: converged after 15 iterations. iteration 840: trace = 2.485865203224384 (4.69649e-09% change) linmin: converged after 4 iterations. iteration 841: trace = 2.485865203125495 (3.97807e-09% change) linmin: converged after 18 iterations. iteration 842: trace = 2.485865203018734 (4.29471e-09% change) linmin: converged after 6 iterations. iteration 843: trace = 2.485865202982069 (1.47495e-09% change) large trace change predicted (7.05629e-09%) linmin: converged after 6 iterations. iteration 844: trace = 2.485865202806661 (7.05622e-09% change) linmin: converged after 4 iterations. iteration 845: trace = 2.485865202682348 (5.00078e-09% change) linmin: converged after 3 iterations. iteration 846: trace = 2.48586520260764 (3.0053e-09% change) linmin: converged after 23 iterations. iteration 847: trace = 2.485865202476305 (5.28327e-09% change) linmin: converged after 4 iterations. iteration 848: trace = 2.485865202430831 (1.82931e-09% change) large trace change predicted (3.71408e-09%) linmin: converged after 5 iterations. iteration 849: trace = 2.485865202338502 (3.71417e-09% change) linmin: converged after 18 iterations. iteration 850: trace = 2.485865202199657 (5.58538e-09% change) linmin: converged after 21 iterations. iteration 851: trace = 2.48586520213026 (2.79166e-09% change) large trace change predicted (9.71785e-09%) linmin: converged after 7 iterations. iteration 852: trace = 2.485865201888691 (9.7177e-09% change) linmin: converged after 6 iterations. iteration 853: trace = 2.485865201666796 (8.92628e-09% change) linmin: converged after 5 iterations. iteration 854: trace = 2.485865201575426 (3.67556e-09% change) linmin: converged after 2 iterations. iteration 855: trace = 2.485865201426157 (6.00471e-09% change) linmin: converged after 9 iterations. iteration 856: trace = 2.4858652012313 (7.8386e-09% change) linmin: converged after 12 iterations. iteration 857: trace = 2.485865201192652 (1.5547e-09% change) large trace change predicted (7.14023e-09%) linmin: converged after 23 iterations. iteration 858: trace = 2.485865201015156 (7.14022e-09% change) linmin: converged after 8 iterations. iteration 859: trace = 2.485865200896991 (4.75348e-09% change) linmin: converged after 14 iterations. iteration 860: trace = 2.485865200801957 (3.82297e-09% change) linmin: converged after 6 iterations. iteration 861: trace = 2.485865200692129 (4.41812e-09% change) linmin: converged after 4 iterations. iteration 862: trace = 2.485865200518051 (7.00272e-09% change) linmin: converged after 12 iterations. iteration 863: trace = 2.485865200481271 (1.47956e-09% change) large trace change predicted (4.06726e-09%) linmin: converged after 6 iterations. iteration 864: trace = 2.485865200380164 (4.06728e-09% change) linmin: converged after 4 iterations. iteration 865: trace = 2.485865200264298 (4.66097e-09% change) linmin: converged after 4 iterations. iteration 866: trace = 2.485865200203591 (2.44211e-09% change) linmin: converged after 4 iterations. iteration 867: trace = 2.485865200163469 (1.61399e-09% change) large trace change predicted (4.10461e-09%) linmin: converged after 10 iterations. iteration 868: trace = 2.485865200061434 (4.1046e-09% change) linmin: converged after 15 iterations. iteration 869: trace = 2.485865199994443 (2.69489e-09% change) linmin: converged after 4 iterations. iteration 870: trace = 2.485865199951992 (1.70769e-09% change) large trace change predicted (4.22626e-09%) linmin: converged after 23 iterations. iteration 871: trace = 2.485865199846935 (4.22615e-09% change) linmin: converged after 19 iterations. iteration 872: trace = 2.48586519970559 (5.68597e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.48586519967051 (1.41118e-09% change) large trace change predicted (5.9437e-09%) linmin: converged after 23 iterations. iteration 874: trace = 2.485865199522759 (5.94365e-09% change) linmin: converged after 15 iterations. iteration 875: trace = 2.485865199447877 (3.01229e-09% change) linmin: converged after 4 iterations. iteration 876: trace = 2.485865199415106 (1.3183e-09% change) large trace change predicted (3.63598e-09%) linmin: converged after 7 iterations. iteration 877: trace = 2.485865199324723 (3.63589e-09% change) linmin: converged after 7 iterations. iteration 878: trace = 2.485865199224289 (4.04022e-09% change) linmin: converged after 21 iterations. iteration 879: trace = 2.48586519919917 (1.01044e-09% change) large trace change predicted (3.10374e-09%) linmin: converged after 15 iterations. iteration 880: trace = 2.485865199122015 (3.10376e-09% change) linmin: converged after 4 iterations. iteration 881: trace = 2.485865199007046 (4.62491e-09% change) linmin: converged after 9 iterations. iteration 882: trace = 2.485865198971677 (1.42282e-09% change) large trace change predicted (3.62595e-09%) linmin: converged after 18 iterations. iteration 883: trace = 2.485865198881543 (3.62587e-09% change) linmin: converged after 4 iterations. iteration 884: trace = 2.485865198809263 (2.90764e-09% change) linmin: converged after 19 iterations. iteration 885: trace = 2.485865198783801 (1.02428e-09% change) linmin: converged after 7 iterations. iteration 886: trace = 2.485865198741717 (1.6929e-09% change) linmin: converged after 18 iterations. iteration 887: trace = 2.485865198675513 (2.66323e-09% change) linmin: converged after 6 iterations. iteration 888: trace = 2.485865198654954 (8.2704e-10% change) large trace change predicted (3.3439e-09%) linmin: converged after 8 iterations. iteration 889: trace = 2.485865198571831 (3.34382e-09% change) linmin: converged after 16 iterations. iteration 890: trace = 2.485865198464384 (4.32232e-09% change) linmin: converged after 3 iterations. iteration 891: trace = 2.485865198440488 (9.61257e-10% change) large trace change predicted (3.03767e-09%) linmin: converged after 3 iterations. iteration 892: trace = 2.485865198364977 (3.03764e-09% change) linmin: converged after 7 iterations. iteration 893: trace = 2.48586519830776 (2.30169e-09% change) linmin: converged after 4 iterations. iteration 894: trace = 2.48586519829292 (5.96963e-10% change) large trace change predicted (2.00214e-09%) linmin: converged after 18 iterations. iteration 895: trace = 2.485865198243147 (2.00224e-09% change) linmin: converged after 4 iterations. iteration 896: trace = 2.485865198200996 (1.69565e-09% change) linmin: converged after 19 iterations. iteration 897: trace = 2.485865198167289 (1.35594e-09% change) linmin: converged after 4 iterations. iteration 898: trace = 2.485865198155195 (4.86506e-10% change) large trace change predicted (2.68332e-09%) linmin: converged after 23 iterations. iteration 899: trace = 2.48586519808849 (2.68338e-09% change) linmin: converged after 7 iterations. iteration 900: trace = 2.485865198040697 (1.92259e-09% change) linmin: converged after 4 iterations. iteration 901: trace = 2.485865198007301 (1.34343e-09% change) linmin: converged after 4 iterations. iteration 902: trace = 2.485865197965126 (1.69658e-09% change) linmin: converged after 6 iterations. iteration 903: trace = 2.485865197945565 (7.86899e-10% change) linmin: converged after 11 iterations. iteration 904: trace = 2.485865197919078 (1.0655e-09% change) linmin: converged after 4 iterations. iteration 905: trace = 2.485865197866943 (2.09725e-09% change) linmin: converged after 4 iterations. iteration 906: trace = 2.48586519785215 (5.95105e-10% change) large trace change predicted (1.71372e-09%) linmin: converged after 4 iterations. iteration 907: trace = 2.485865197809549 (1.71373e-09% change) linmin: converged after 6 iterations. iteration 908: trace = 2.485865197741145 (2.75172e-09% change) linmin: converged after 13 iterations. iteration 909: trace = 2.485865197672666 (2.75474e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.485865197621271 (2.06748e-09% change) linmin: converged after 6 iterations. iteration 911: trace = 2.485865197554172 (2.69923e-09% change) linmin: converged after 14 iterations. iteration 912: trace = 2.485865197517081 (1.49205e-09% change) linmin: converged after 3 iterations. iteration 913: trace = 2.485865197503284 (5.55034e-10% change) large trace change predicted (1.59007e-09%) linmin: converged after 3 iterations. iteration 914: trace = 2.48586519746376 (1.58993e-09% change) linmin: converged after 4 iterations. iteration 915: trace = 2.485865197438764 (1.00554e-09% change) linmin: converged after 7 iterations. iteration 916: trace = 2.485865197425961 (5.15018e-10% change) large trace change predicted (1.51113e-09%) linmin: converged after 4 iterations. iteration 917: trace = 2.485865197388399 (1.51106e-09% change) linmin: converged after 4 iterations. iteration 918: trace = 2.48586519737202 (6.58863e-10% change) linmin: converged after 4 iterations. iteration 919: trace = 2.485865197341653 (1.22158e-09% change) linmin: converged after 5 iterations. iteration 920: trace = 2.48586519730008 (1.67237e-09% change) linmin: converged after 9 iterations. iteration 921: trace = 2.485865197287242 (5.16465e-10% change) large trace change predicted (1.64945e-09%) linmin: converged after 8 iterations. iteration 922: trace = 2.485865197246239 (1.64942e-09% change) linmin: converged after 3 iterations. iteration 923: trace = 2.485865197215964 (1.21792e-09% change) linmin: converged after 8 iterations. iteration 924: trace = 2.485865197192766 (9.33192e-10% change) linmin: converged after 4 iterations. iteration 925: trace = 2.485865197178459 (5.75525e-10% change) large trace change predicted (1.76706e-09%) linmin: converged after 5 iterations. iteration 926: trace = 2.485865197134531 (1.76709e-09% change) linmin: converged after 4 iterations. iteration 927: trace = 2.485865197114793 (7.94027e-10% change) large trace change predicted (2.13625e-09%) linmin: converged after 3 iterations. iteration 928: trace = 2.485865197061689 (2.13623e-09% change) linmin: converged after 4 iterations. iteration 929: trace = 2.485865197012912 (1.96217e-09% change) linmin: converged after 4 iterations. iteration 930: trace = 2.485865196992302 (8.29113e-10% change) large trace change predicted (1.71184e-09%) linmin: converged after 12 iterations. iteration 931: trace = 2.485865196949747 (1.71187e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865196906157 (1.75352e-09% change) linmin: converged after 5 iterations. iteration 933: trace = 2.485865196890289 (6.38319e-10% change) linmin: converged after 2 iterations. iteration 934: trace = 2.48586519686981 (8.23825e-10% change) linmin: converged after 13 iterations. iteration 935: trace = 2.485865196835124 (1.39531e-09% change) linmin: converged after 9 iterations. iteration 936: trace = 2.485865196797001 (1.5336e-09% change) linmin: converged after 16 iterations. iteration 937: trace = 2.485865196782173 (5.9648e-10% change) large trace change predicted (2.27878e-09%) linmin: converged after 16 iterations. iteration 938: trace = 2.485865196725526 (2.27877e-09% change) linmin: converged after 8 iterations. iteration 939: trace = 2.485865196690157 (1.42282e-09% change) linmin: converged after 7 iterations. iteration 940: trace = 2.485865196668219 (8.8251e-10% change) linmin: converged after 9 iterations. iteration 941: trace = 2.485865196628217 (1.60917e-09% change) linmin: converged after 4 iterations. iteration 942: trace = 2.485865196593962 (1.37798e-09% change) linmin: converged after 2 iterations. iteration 943: trace = 2.485865196583913 (4.04257e-10% change) large trace change predicted (1.74376e-09%) linmin: converged after 4 iterations. iteration 944: trace = 2.485865196540568 (1.74364e-09% change) linmin: converged after 4 iterations. iteration 945: trace = 2.485865196499323 (1.65921e-09% change) linmin: converged after 10 iterations. iteration 946: trace = 2.485865196473318 (1.04611e-09% change) linmin: converged after 3 iterations. iteration 947: trace = 2.485865196445581 (1.11577e-09% change) large trace change predicted (2.35417e-09%) linmin: converged after 15 iterations. iteration 948: trace = 2.485865196387059 (2.35419e-09% change) linmin: converged after 6 iterations. iteration 949: trace = 2.485865196378689 (3.36694e-10% change) large trace change predicted (1.47413e-09%) linmin: converged after 12 iterations. iteration 950: trace = 2.485865196342044 (1.47413e-09% change) linmin: converged after 8 iterations. iteration 951: trace = 2.485865196315155 (1.08168e-09% change) linmin: converged after 3 iterations. iteration 952: trace = 2.48586519629107 (9.68903e-10% change) linmin: converged after 10 iterations. iteration 953: trace = 2.485865196281758 (3.74567e-10% change) large trace change predicted (1.48337e-09%) linmin: converged after 4 iterations. iteration 954: trace = 2.485865196244884 (1.48335e-09% change) linmin: converged after 10 iterations. iteration 955: trace = 2.485865196228607 (6.5479e-10% change) linmin: converged after 14 iterations. iteration 956: trace = 2.485865196208537 (8.07389e-10% change) large trace change predicted (1.63941e-09%) linmin: converged after 4 iterations. iteration 957: trace = 2.485865196167782 (1.63943e-09% change) linmin: converged after 3 iterations. iteration 958: trace = 2.485865196146817 (8.43369e-10% change) linmin: converged after 7 iterations. iteration 959: trace = 2.485865196123805 (9.25742e-10% change) linmin: converged after 3 iterations. iteration 960: trace = 2.485865196084217 (1.59252e-09% change) linmin: converged after 3 iterations. iteration 961: trace = 2.485865196072366 (4.76734e-10% change) large trace change predicted (1.21608e-09%) linmin: converged after 4 iterations. iteration 962: trace = 2.485865196042138 (1.21599e-09% change) linmin: converged after 3 iterations. iteration 963: trace = 2.485865196012548 (1.19033e-09% change) linmin: converged after 6 iterations. iteration 964: trace = 2.485865195986695 (1.04e-09% change) linmin: converged after 12 iterations. iteration 965: trace = 2.485865195952662 (1.36907e-09% change) linmin: converged after 5 iterations. iteration 966: trace = 2.485865195909216 (1.74771e-09% change) linmin: converged after 11 iterations. iteration 967: trace = 2.485865195876602 (1.31199e-09% change) linmin: converged after 4 iterations. iteration 968: trace = 2.485865195862033 (5.86047e-10% change) large trace change predicted (1.25763e-09%) linmin: converged after 10 iterations. iteration 969: trace = 2.485865195830771 (1.25759e-09% change) linmin: converged after 2 iterations. iteration 970: trace = 2.485865195805184 (1.0293e-09% change) linmin: converged after 3 iterations. iteration 971: trace = 2.485865195798672 (2.61948e-10% change) large trace change predicted (5.6977e-10%) linmin: converged after 8 iterations. iteration 972: trace = 2.485865195784509 (5.69773e-10% change) linmin: converged after 4 iterations. iteration 973: trace = 2.485865195760646 (9.59917e-10% change) linmin: converged after 5 iterations. iteration 974: trace = 2.485865195750334 (4.14833e-10% change) large trace change predicted (1.0865e-09%) linmin: converged after 13 iterations. iteration 975: trace = 2.485865195723326 (1.08645e-09% change) linmin: converged after 11 iterations. iteration 976: trace = 2.485865195706363 (6.82409e-10% change) linmin: converged after 4 iterations. iteration 977: trace = 2.485865195701312 (2.03192e-10% change) large trace change predicted (5.38865e-10%) linmin: converged after 7 iterations. iteration 978: trace = 2.485865195687918 (5.38796e-10% change) large trace change predicted (1.86023e-09%) linmin: converged after 6 iterations. iteration 979: trace = 2.485865195641676 (1.86018e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 980: trace = 2.485865195621334 (8.18323e-10% change) linmin: converged after 9 iterations. iteration 981: trace = 2.485865195602385 (7.62263e-10% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195588784 (5.4712e-10% change) linmin: converged after 3 iterations. iteration 983: trace = 2.485865195582581 (2.4955e-10% change) linmin: converged after 12 iterations. iteration 984: trace = 2.485865195571117 (4.61156e-10% change) linmin: converged after 16 iterations. iteration 985: trace = 2.485865195550204 (8.41278e-10% change) linmin: converged after 4 iterations. iteration 986: trace = 2.485865195545255 (1.99083e-10% change) large trace change predicted (5.73694e-10%) linmin: converged after 9 iterations. iteration 987: trace = 2.485865195530995 (5.73649e-10% change) linmin: converged after 15 iterations. iteration 988: trace = 2.485865195517619 (5.38099e-10% change) linmin: converged after 3 iterations. iteration 989: trace = 2.485865195512988 (1.86256e-10% change) large trace change predicted (9.25531e-10%) linmin: converged after 6 iterations. iteration 990: trace = 2.485865195489983 (9.25438e-10% change) linmin: converged after 3 iterations. iteration 991: trace = 2.485865195472538 (7.01792e-10% change) linmin: converged after 4 iterations. iteration 992: trace = 2.485865195463435 (3.6617e-10% change) large trace change predicted (7.75189e-10%) linmin: converged after 6 iterations. iteration 993: trace = 2.485865195444166 (7.75144e-10% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195426762 (7.00113e-10% change) linmin: converged after 9 iterations. iteration 995: trace = 2.485865195412906 (5.5741e-10% change) large trace change predicted (1.4301e-09%) linmin: converged after 8 iterations. iteration 996: trace = 2.485865195377354 (1.43015e-09% change) linmin: converged after 7 iterations. iteration 997: trace = 2.48586519536001 (6.97719e-10% change) linmin: converged after 12 iterations. iteration 998: trace = 2.485865195353347 (2.68022e-10% change) large trace change predicted (6.40078e-10%) linmin: converged after 14 iterations. iteration 999: trace = 2.485865195337435 (6.40123e-10% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.485865195319622 (7.16548e-10% change) linmin: converged after 9 iterations. iteration 1001: trace = 2.485865195313445 (2.48478e-10% change) large trace change predicted (5.82183e-10%) linmin: converged after 5 iterations. iteration 1002: trace = 2.485865195298976 (5.82081e-10% change) linmin: converged after 12 iterations. iteration 1003: trace = 2.485865195281736 (6.93503e-10% change) linmin: converged after 21 iterations. iteration 1004: trace = 2.485865195270295 (4.60245e-10% change) linmin: converged after 7 iterations. iteration 1005: trace = 2.485865195263296 (2.81564e-10% change) large trace change predicted (5.99548e-10%) linmin: converged after 4 iterations. iteration 1006: trace = 2.485865195248393 (5.99481e-10% change) linmin: converged after 9 iterations. iteration 1007: trace = 2.485865195237147 (4.52402e-10% change) linmin: converged after 9 iterations. iteration 1008: trace = 2.485865195233455 (1.48526e-10% change) large trace change predicted (4.32668e-10%) linmin: converged after 4 iterations. iteration 1009: trace = 2.485865195222699 (4.32698e-10% change) linmin: converged after 4 iterations. iteration 1010: trace = 2.48586519521449 (3.30209e-10% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.48586519520931 (2.0839e-10% change) large trace change predicted (6.6626e-10%) linmin: converged after 6 iterations. iteration 1012: trace = 2.485865195192747 (6.66295e-10% change) linmin: converged after 9 iterations. iteration 1013: trace = 2.485865195182377 (4.17156e-10% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.485865195174917 (3.00107e-10% change) linmin: converged after 2 iterations. iteration 1015: trace = 2.485865195162785 (4.88024e-10% change) linmin: converged after 11 iterations. iteration 1016: trace = 2.485865195148313 (5.82189e-10% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.485865195144994 (1.33484e-10% change) large trace change predicted (4.39891e-10%) linmin: converged after 9 iterations. iteration 1018: trace = 2.485865195134059 (4.39897e-10% change) linmin: converged after 2 iterations. iteration 1019: trace = 2.485865195124169 (3.97862e-10% change) linmin: converged after 6 iterations. iteration 1020: trace = 2.4858651951201 (1.63693e-10% change) large trace change predicted (4.44496e-10%) linmin: converged after 10 iterations. iteration 1021: trace = 2.485865195109048 (4.4456e-10% change) linmin: converged after 6 iterations. iteration 1022: trace = 2.485865195096972 (4.85809e-10% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.485865195093094 (1.55993e-10% change) large trace change predicted (3.87791e-10%) linmin: converged after 5 iterations. iteration 1024: trace = 2.485865195083455 (3.87768e-10% change) linmin: converged after 14 iterations. iteration 1025: trace = 2.48586519507341 (4.04079e-10% change) linmin: converged after 4 iterations. iteration 1026: trace = 2.485865195070256 (1.26874e-10% change) large trace change predicted (2.56035e-10%) linmin: converged after 4 iterations. iteration 1027: trace = 2.485865195063889 (2.56107e-10% change) linmin: converged after 2 iterations. iteration 1028: trace = 2.485865195055848 (3.23492e-10% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.485865195050104 (2.31078e-10% change) linmin: converged after 3 iterations. iteration 1030: trace = 2.485865195046866 (1.30233e-10% change) large trace change predicted (4.3677e-10%) linmin: converged after 4 iterations. iteration 1031: trace = 2.485865195036011 (4.36682e-10% change) linmin: converged after 6 iterations. iteration 1032: trace = 2.485865195029637 (2.5641e-10% change) linmin: converged after 8 iterations. iteration 1033: trace = 2.485865195020333 (3.74281e-10% change) linmin: converged after 6 iterations. iteration 1034: trace = 2.485865195012623 (3.10129e-10% change) linmin: converged after 5 iterations. iteration 1035: trace = 2.485865195008011 (1.85541e-10% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.485865195005902 (8.48389e-11% change) Finished solving for bands 1 to 10 after 1036 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 39.93803429603577 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.624860411046353 (2.69643% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953120075342 (0.531237% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889418712752 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356443038089 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948655013419 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596371871982109 (0.0222125% change) linmin: converged after 4 iterations. iteration 7: trace = 2.595542735737572 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152186643642 (0.015048% change) linmin: converged after 3 iterations. iteration 9: trace = 2.594847215263249 (0.0117523% change) linmin: converged after 3 iterations. iteration 10: trace = 2.594454262879232 (0.0151447% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326124548561 (0.00493905% change) large trace change predicted (0.0216467%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777157581065 (0.0211625% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593511843479513 (0.0102294% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177697304444 (0.0128848% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759434484478 (0.0161307% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616340051055 (0.00551915% change) large trace change predicted (0.0234745%) linmin: converged after 6 iterations. iteration 17: trace = 2.592030880487595 (0.0225844% change) linmin: converged after 4 iterations. iteration 18: trace = 2.591838686211606 (0.00741509% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510270448785 (0.012672% change) linmin: converged after 10 iterations. iteration 20: trace = 2.591143364555911 (0.014159% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058257803849 (0.00328458% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787356839778 (0.0104558% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682094674045 (0.00406302% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536603085338 (0.00561611% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590315988662347 (0.00851653% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262658167739 (0.00205886% change) large trace change predicted (0.00488929%) linmin: converged after 3 iterations. iteration 27: trace = 2.590136010592585 (0.00488949% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064035313854 (0.00277886% change) linmin: converged after 3 iterations. iteration 29: trace = 2.58996694261806 (0.00374873% change) linmin: converged after 3 iterations. iteration 30: trace = 2.58984691596115 (0.0046344% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779688164714 (0.00259585% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656128784571 (0.00477115% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592199135538 (0.00246868% change) large trace change predicted (0.0058733%) linmin: converged after 3 iterations. iteration 34: trace = 2.589438681696899 (0.00592842% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299331625787 (0.00538162% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151552445779 (0.00570747% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877307522744 (0.0105926% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758823081525 (0.00457678% change) large trace change predicted (0.010381%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487186071184 (0.0104935% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238517171146 (0.00960719% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129406417775 (0.00421573% change) large trace change predicted (0.00966091%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877846229397 (0.00972024% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755141849625 (0.00474162% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559855508799 (0.00754684% change) linmin: converged after 3 iterations. iteration 45: trace = 2.587201460557907 (0.0138517% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078691989363 (0.00474534% change) large trace change predicted (0.013446%) linmin: converged after 3 iterations. iteration 47: trace = 2.586730861046283 (0.0134458% change) linmin: converged after 4 iterations. iteration 48: trace = 2.586416647172605 (0.0121479% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172601125363 (0.00943613% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801884629055 (0.0143356% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704517323852 (0.00376553% change) large trace change predicted (0.00796049%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499728879079 (0.00792034% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585308999531365 (0.00737716% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225590119062 (0.00322634% change) large trace change predicted (0.00858042%) linmin: converged after 4 iterations. iteration 55: trace = 2.585005301422362 (0.00852143% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916343008675 (0.00344138% change) linmin: converged after 4 iterations. iteration 57: trace = 2.58474803611846 (0.00651133% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504157251196 (0.00943575% change) linmin: converged after 4 iterations. iteration 59: trace = 2.58441863052737 (0.00330927% change) large trace change predicted (0.00842742%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201762276924 (0.00839173% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099037372494 (0.00397519% change) linmin: converged after 4 iterations. iteration 62: trace = 2.583934318618211 (0.00637452% change) linmin: converged after 4 iterations. iteration 63: trace = 2.58370900908179 (0.00872001% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615240248 (0.0036293% change) large trace change predicted (0.00904873%) linmin: converged after 4 iterations. iteration 65: trace = 2.58338301242544 (0.00898889% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261745759347 (0.00469421% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112526021962 (0.00577657% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958345989169 (0.00596895% change) linmin: converged after 4 iterations. iteration 69: trace = 2.582869858586811 (0.00342587% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791313004444 (0.00304107% change) linmin: converged after 4 iterations. iteration 71: trace = 2.58268969213514 (0.00393461% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487325916033 (0.00783579% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430408035694 (0.00220402% change) large trace change predicted (0.00655185%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260815114801 (0.0065674% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142989707587 (0.00456298% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089064777275 (0.0020884% change) linmin: converged after 3 iterations. iteration 77: trace = 2.581989390259893 (0.0038603% change) linmin: converged after 3 iterations. iteration 78: trace = 2.581949439808984 (0.00154729% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896419615842 (0.00205352% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814593332957 (0.00316928% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795069026624 (0.000756227% change) large trace change predicted (0.00246194%) linmin: converged after 3 iterations. iteration 82: trace = 2.58173133884606 (0.00246848% change) linmin: converged after 3 iterations. iteration 83: trace = 2.581679781919429 (0.00199701% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660321885211 (0.000753777% change) large trace change predicted (0.00226618%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601682937403 (0.00227139% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512299314817 (0.00346239% change) linmin: converged after 3 iterations. iteration 87: trace = 2.58147119428321 (0.0015923% change) large trace change predicted (0.0046024%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352081630248 (0.00461424% change) linmin: converged after 3 iterations. iteration 89: trace = 2.58129672672862 (0.00214444% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194570304157 (0.00395764% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064462171439 (0.00504074% change) linmin: converged after 5 iterations. iteration 92: trace = 2.581038686594811 (0.000998646% change) large trace change predicted (0.0040394%) linmin: converged after 4 iterations. iteration 93: trace = 2.580934557956669 (0.00403445% change) linmin: converged after 3 iterations. iteration 94: trace = 2.580892387306112 (0.00163394% change) linmin: converged after 3 iterations. iteration 95: trace = 2.580844696548423 (0.00184786% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750157012079 (0.00366319% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717784605638 (0.00125439% change) large trace change predicted (0.00303663%) linmin: converged after 4 iterations. iteration 98: trace = 2.580639596123497 (0.00302976% change) linmin: converged after 9 iterations. iteration 99: trace = 2.580586761454629 (0.00204737% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568621397774 (0.000702946% change) large trace change predicted (0.00145461%) linmin: converged after 6 iterations. iteration 101: trace = 2.580531152965064 (0.00145196% change) linmin: converged after 5 iterations. iteration 102: trace = 2.580515795517033 (0.000595129% change) linmin: converged after 7 iterations. iteration 103: trace = 2.580499589112567 (0.000628032% change) linmin: converged after 10 iterations. iteration 104: trace = 2.580473823966176 (0.000998461% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463037386587 (0.000418009% change) large trace change predicted (0.00115934%) linmin: converged after 7 iterations. iteration 106: trace = 2.580433161902498 (0.00115776% change) linmin: converged after 9 iterations. iteration 107: trace = 2.580404815901987 (0.0010985% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391190354905 (0.000528041% change) large trace change predicted (0.0016236%) linmin: converged after 4 iterations. iteration 109: trace = 2.580349365774073 (0.00162088% change) linmin: converged after 4 iterations. iteration 110: trace = 2.580298527892586 (0.00197021% change) linmin: converged after 3 iterations. iteration 111: trace = 2.580288479997536 (0.000389409% change) large trace change predicted (0.00143954%) linmin: converged after 5 iterations. iteration 112: trace = 2.580251375879656 (0.00143799% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236533701703 (0.000575224% change) linmin: converged after 6 iterations. iteration 114: trace = 2.580210071920862 (0.00102556% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157344714697 (0.00204354% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144571223186 (0.000495068% change) large trace change predicted (0.00229583%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085274751973 (0.00229821% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043019264572 (0.00163777% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580025991093569 (0.000659998% change) large trace change predicted (0.00240849%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963759611191 (0.00241208% change) linmin: converged after 3 iterations. iteration 121: trace = 2.57991653235659 (0.00183056% change) linmin: converged after 4 iterations. iteration 122: trace = 2.579904016458264 (0.000485129% change) large trace change predicted (0.0014519%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866516596925 (0.00145355% change) linmin: converged after 4 iterations. iteration 124: trace = 2.579847349110015 (0.000742967% change) linmin: converged after 4 iterations. iteration 125: trace = 2.57981625559548 (0.00120525% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774295819708 (0.00162648% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579756321199825 (0.000696754% change) large trace change predicted (0.00189741%) linmin: converged after 4 iterations. iteration 128: trace = 2.579707365034811 (0.00189772% change) linmin: converged after 3 iterations. iteration 129: trace = 2.579652605177337 (0.00212274% change) linmin: converged after 4 iterations. iteration 130: trace = 2.579637797961422 (0.000574002% change) large trace change predicted (0.00174624%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592828229222 (0.00174327% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574076850859 (0.000726915% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568094421862 (0.000231916% change) large trace change predicted (0.00172184%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523650464155 (0.00172294% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512525871619 (0.000431266% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493202676513 (0.000749105% change) linmin: converged after 4 iterations. iteration 137: trace = 2.579467338322777 (0.0010027% change) linmin: converged after 3 iterations. iteration 138: trace = 2.579459773995436 (0.000293252% change) large trace change predicted (0.00116692%) linmin: converged after 4 iterations. iteration 139: trace = 2.579429693189835 (0.00116617% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.579416135883174 (0.000525595% change) linmin: converged after 5 iterations. iteration 141: trace = 2.57940911563251 (0.000272165% change) linmin: converged after 3 iterations. iteration 142: trace = 2.579396487581326 (0.000489573% change) linmin: converged after 4 iterations. iteration 143: trace = 2.579389692635661 (0.000263432% change) linmin: converged after 8 iterations. iteration 144: trace = 2.579378559856859 (0.000431606% change) linmin: converged after 4 iterations. iteration 145: trace = 2.579359095256255 (0.000754626% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354310792549 (0.000185491% change) large trace change predicted (0.000499364%) linmin: converged after 4 iterations. iteration 147: trace = 2.579341440217742 (0.000498986% change) linmin: converged after 4 iterations. iteration 148: trace = 2.579326412205812 (0.000582631% change) linmin: converged after 4 iterations. iteration 149: trace = 2.579321178608772 (0.000202906% change) large trace change predicted (0.000597562%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305766876923 (0.000597513% change) linmin: converged after 3 iterations. iteration 151: trace = 2.579294579777005 (0.000433726% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281565990633 (0.00050455% change) linmin: converged after 3 iterations. iteration 153: trace = 2.579262974616883 (0.000720799% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579257782065779 (0.000201319% change) large trace change predicted (0.000499863%) linmin: converged after 3 iterations. iteration 155: trace = 2.579244888991966 (0.000499877% change) linmin: converged after 4 iterations. iteration 156: trace = 2.57923023737586 (0.00056806% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225922062626 (0.00016731% change) large trace change predicted (0.000602322%) linmin: converged after 8 iterations. iteration 158: trace = 2.579210393761897 (0.000602055% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579201873243111 (0.000330354% change) linmin: converged after 3 iterations. iteration 160: trace = 2.579194273538292 (0.000294654% change) linmin: converged after 5 iterations. iteration 161: trace = 2.579183222400736 (0.000428473% change) linmin: converged after 3 iterations. iteration 162: trace = 2.579176923374321 (0.000244226% change) linmin: converged after 10 iterations. iteration 163: trace = 2.579166588158097 (0.000400718% change) linmin: converged after 6 iterations. iteration 164: trace = 2.579151082758456 (0.00060118% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579147558505072 (0.000136644% change) large trace change predicted (0.000300205%) linmin: converged after 3 iterations. iteration 166: trace = 2.579139817911938 (0.000300123% change) linmin: converged after 3 iterations. iteration 167: trace = 2.579132982701176 (0.000265019% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130515716852 (9.56517e-05% change) large trace change predicted (0.000322081%) linmin: converged after 3 iterations. iteration 169: trace = 2.579122205103592 (0.000322226% change) linmin: converged after 5 iterations. iteration 170: trace = 2.579119361281624 (0.000110263% change) linmin: converged after 3 iterations. iteration 171: trace = 2.579114496801978 (0.00018861% change) linmin: converged after 4 iterations. iteration 172: trace = 2.579109335316373 (0.000200126% change) linmin: converged after 4 iterations. iteration 173: trace = 2.57910795548238 (5.35004e-05% change) large trace change predicted (0.000195389%) linmin: converged after 3 iterations. iteration 174: trace = 2.57910291299087 (0.000195513% change) linmin: converged after 5 iterations. iteration 175: trace = 2.579098533109545 (0.000169822% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096627754628 (7.38768e-05% change) large trace change predicted (0.000230006%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090690077205 (0.000230223% change) linmin: converged after 3 iterations. iteration 178: trace = 2.579087349356154 (0.000129531% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085286057948 (8.00011e-05% change) large trace change predicted (0.000239886%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079096218417 (0.000240002% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579076975745579 (8.22183e-05% change) large trace change predicted (0.000240434%) linmin: converged after 3 iterations. iteration 182: trace = 2.579070772928097 (0.000240506% change) linmin: converged after 5 iterations. iteration 183: trace = 2.579062382481638 (0.000325329% change) linmin: converged after 7 iterations. iteration 184: trace = 2.579059724405068 (0.000103064% change) large trace change predicted (0.000238377%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053575416971 (0.00023842% change) linmin: converged after 4 iterations. iteration 186: trace = 2.579044464645738 (0.000353261% change) linmin: converged after 5 iterations. iteration 187: trace = 2.579042388219305 (8.05115e-05% change) large trace change predicted (0.000295533%) linmin: converged after 3 iterations. iteration 188: trace = 2.579034769267522 (0.000295418% change) linmin: converged after 3 iterations. iteration 189: trace = 2.57903225159704 (9.76207e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.579028656680715 (0.00013939% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022732309953 (0.000229714% change) linmin: converged after 3 iterations. iteration 192: trace = 2.579021330495491 (5.43545e-05% change) large trace change predicted (0.000191818%) linmin: converged after 4 iterations. iteration 193: trace = 2.579016386369713 (0.000191706% change) linmin: converged after 8 iterations. iteration 194: trace = 2.579010620866742 (0.000223555% change) linmin: converged after 4 iterations. iteration 195: trace = 2.579009170481359 (5.62381e-05% change) large trace change predicted (0.000149052%) linmin: converged after 3 iterations. iteration 196: trace = 2.579005328694866 (0.000148964% change) linmin: converged after 4 iterations. iteration 197: trace = 2.579001155542774 (0.000161813% change) linmin: converged after 3 iterations. iteration 198: trace = 2.579000057568567 (4.25736e-05% change) large trace change predicted (0.00013786%) linmin: converged after 14 iterations. iteration 199: trace = 2.578996504804463 (0.000137758% change) linmin: converged after 3 iterations. iteration 200: trace = 2.578994441532533 (8.00029e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.578991788037497 (0.000102889% change) linmin: converged after 5 iterations. iteration 202: trace = 2.578988729210905 (0.000118606% change) linmin: converged after 4 iterations. iteration 203: trace = 2.578987309619444 (5.50445e-05% change) large trace change predicted (0.000118799%) linmin: converged after 4 iterations. iteration 204: trace = 2.578984246118585 (0.000118787% change) linmin: converged after 3 iterations. iteration 205: trace = 2.578979953655232 (0.00016644% change) linmin: converged after 3 iterations. iteration 206: trace = 2.578978760744176 (4.62552e-05% change) large trace change predicted (0.000158677%) linmin: converged after 4 iterations. iteration 207: trace = 2.578974667508112 (0.000158716% change) linmin: converged after 5 iterations. iteration 208: trace = 2.57897266253779 (7.7743e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970581959798 (8.06747e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.578968880893772 (6.59591e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.578967704531308 (4.56137e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965542689253 (8.38259e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.578964896422857 (2.50591e-05% change) large trace change predicted (8.59157e-05%) linmin: converged after 5 iterations. iteration 214: trace = 2.578962680152362 (8.59365e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960865960605 (7.03458e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959993024233 (3.38484e-05% change) large trace change predicted (7.46845e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.578958066545303 (7.46999e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.578955891151289 (8.43517e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955028725807 (3.34409e-05% change) large trace change predicted (7.39816e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.578953120025394 (7.40106e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.57895230080391 (3.17657e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.578951212243569 (4.22094e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.578949548563513 (6.451e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948900291405 (2.51371e-05% change) large trace change predicted (7.23308e-05%) linmin: converged after 5 iterations. iteration 225: trace = 2.578947034253699 (7.23565e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.578944835046556 (8.52754e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.57894415296099 (2.64482e-05% change) large trace change predicted (0.000106472%) linmin: converged after 3 iterations. iteration 228: trace = 2.578941406195363 (0.000106507% change) linmin: converged after 3 iterations. iteration 229: trace = 2.57894006524852 (5.1996e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938619225777 (5.60704e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936185249459 (9.4379e-05% change) linmin: converged after 4 iterations. iteration 232: trace = 2.578934973308549 (4.69938e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.57893352165961 (5.62887e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578931900800763 (6.285e-05% change) linmin: converged after 3 iterations. iteration 235: trace = 2.578930890157621 (3.91884e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.578929764952403 (4.36307e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.578927707946066 (7.9762e-05% change) linmin: converged after 5 iterations. iteration 238: trace = 2.578927343078969 (1.4148e-05% change) large trace change predicted (7.9146e-05%) linmin: converged after 4 iterations. iteration 239: trace = 2.578925303133183 (7.91006e-05% change) linmin: converged after 11 iterations. iteration 240: trace = 2.578924456300701 (3.28366e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923818695501 (2.47237e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.578922568039725 (4.84953e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.578922284291115 (1.10026e-05% change) large trace change predicted (3.25706e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.57892144452619 (3.25626e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.578920577914749 (3.36036e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.578920231393552 (1.34367e-05% change) large trace change predicted (2.78639e-05%) linmin: converged after 3 iterations. iteration 247: trace = 2.578919512980272 (2.78571e-05% change) linmin: converged after 4 iterations. iteration 248: trace = 2.578918378660553 (4.39843e-05% change) linmin: converged after 15 iterations. iteration 249: trace = 2.578917991557982 (1.50103e-05% change) large trace change predicted (4.50667e-05%) linmin: converged after 4 iterations. iteration 250: trace = 2.57891682949851 (4.506e-05% change) linmin: converged after 24 iterations. iteration 251: trace = 2.578915910807758 (3.56231e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.578915590737913 (1.2411e-05% change) large trace change predicted (3.33042e-05%) linmin: converged after 4 iterations. iteration 253: trace = 2.578914731764446 (3.33076e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.57891401745233 (2.76982e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.578913276236658 (2.87414e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.578911862520242 (5.48183e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.578911194427428 (2.5906e-05% change) linmin: converged after 7 iterations. iteration 258: trace = 2.578910581765126 (2.37566e-05% change) large trace change predicted (5.2754e-05%) linmin: converged after 3 iterations. iteration 259: trace = 2.578909221132975 (5.276e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578908613514984 (2.3561e-05% change) large trace change predicted (4.83089e-05%) linmin: converged after 5 iterations. iteration 261: trace = 2.578907367580853 (4.83125e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906278281126 (4.22388e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.578905941854542 (1.30453e-05% change) large trace change predicted (3.64705e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.578905001212076 (3.64745e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.578904102382385 (3.48532e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903854125543 (9.62645e-06% change) large trace change predicted (4.40033e-05%) linmin: converged after 4 iterations. iteration 267: trace = 2.578902719535723 (4.39951e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.578902391411255 (1.27234e-05% change) large trace change predicted (2.6578e-05%) linmin: converged after 3 iterations. iteration 269: trace = 2.57890170598284 (2.65783e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.578900858445778 (3.28643e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.578900676814746 (7.04296e-06% change) large trace change predicted (2.57141e-05%) linmin: converged after 4 iterations. iteration 272: trace = 2.578900013729427 (2.57119e-05% change) linmin: converged after 14 iterations. iteration 273: trace = 2.578899330351796 (2.64988e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.578899128026864 (7.8454e-06% change) large trace change predicted (2.59336e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.578898459200124 (2.59346e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.578898173055999 (1.10956e-05% change) linmin: converged after 7 iterations. iteration 277: trace = 2.578897865010843 (1.19448e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.578897262435628 (2.33656e-05% change) large trace change predicted (6.49439e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.578895588071385 (6.49256e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 280: trace = 2.578894851911821 (2.85455e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578894405959544 (1.72924e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578894227997153 (6.90072e-06% change) linmin: converged after 2 iterations. iteration 283: trace = 2.578893990823736 (9.19671e-06% change) linmin: converged after 3 iterations. iteration 284: trace = 2.578893576969913 (1.60477e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.578893492628689 (3.27044e-06% change) large trace change predicted (1.75087e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.578893041190773 (1.75051e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578892750123892 (1.12865e-05% change) linmin: converged after 4 iterations. iteration 288: trace = 2.578892665395239 (3.28547e-06% change) large trace change predicted (1.30174e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578892329721988 (1.30162e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.578892115954997 (8.2891e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578891875697856 (9.31629e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578891484605236 (1.51651e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578891335054308 (5.79904e-06% change) large trace change predicted (1.34913e-05%) linmin: converged after 4 iterations. iteration 294: trace = 2.578890987123772 (1.34915e-05% change) linmin: converged after 13 iterations. iteration 295: trace = 2.578890658718282 (1.27344e-05% change) linmin: converged after 4 iterations. iteration 296: trace = 2.578890509336884 (5.79247e-06% change) large trace change predicted (1.3677e-05%) linmin: converged after 4 iterations. iteration 297: trace = 2.578890156647751 (1.3676e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.578889740733305 (1.61277e-05% change) linmin: converged after 7 iterations. iteration 299: trace = 2.578889646513629 (3.6535e-06% change) large trace change predicted (1.19742e-05%) linmin: converged after 3 iterations. iteration 300: trace = 2.578889337726586 (1.19736e-05% change) linmin: converged after 7 iterations. iteration 301: trace = 2.578889101179989 (9.17242e-06% change) linmin: converged after 2 iterations. iteration 302: trace = 2.578888975716554 (4.86502e-06% change) large trace change predicted (1.19185e-05%) linmin: converged after 4 iterations. iteration 303: trace = 2.578888668386185 (1.19172e-05% change) linmin: converged after 5 iterations. iteration 304: trace = 2.57888857287993 (3.70339e-06% change) large trace change predicted (8.54973e-06%) linmin: converged after 3 iterations. iteration 305: trace = 2.578888352414491 (8.54886e-06% change) linmin: converged after 3 iterations. iteration 306: trace = 2.578888174978098 (6.88034e-06% change) linmin: converged after 4 iterations. iteration 307: trace = 2.578887961299824 (8.28567e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578887856107309 (4.07899e-06% change) large trace change predicted (1.00097e-05%) linmin: converged after 3 iterations. iteration 309: trace = 2.578887597962509 (1.00099e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578887485656762 (4.35481e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.57888741625089 (2.69131e-06% change) large trace change predicted (6.10736e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.578887258744943 (6.10752e-06% change) linmin: converged after 5 iterations. iteration 313: trace = 2.578887190707156 (2.63826e-06% change) linmin: converged after 13 iterations. iteration 314: trace = 2.578887070656877 (4.65512e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578886923057196 (5.72339e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578886871548479 (1.99732e-06% change) large trace change predicted (5.4828e-06%) linmin: converged after 3 iterations. iteration 317: trace = 2.578886730142155 (5.48323e-06% change) linmin: converged after 2 iterations. iteration 318: trace = 2.578886610200281 (4.65092e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.578886555947355 (2.10373e-06% change) large trace change predicted (6.32966e-06%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886392707959 (6.32984e-06% change) linmin: converged after 2 iterations. iteration 321: trace = 2.578886310489861 (3.18812e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.578886178021713 (5.13664e-06% change) linmin: converged after 10 iterations. iteration 323: trace = 2.57888600565265 (6.68386e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.578885943884611 (2.39514e-06% change) large trace change predicted (5.04241e-06%) linmin: converged after 2 iterations. iteration 325: trace = 2.578885813846164 (5.04243e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.578885632475531 (7.03291e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578885589475981 (1.66737e-06% change) large trace change predicted (5.66869e-06%) linmin: converged after 3 iterations. iteration 328: trace = 2.578885443297189 (5.66829e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.578885319279143 (4.80898e-06% change) linmin: converged after 12 iterations. iteration 330: trace = 2.57888522933503 (3.48771e-06% change) linmin: converged after 5 iterations. iteration 331: trace = 2.578885095254789 (5.19916e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.578884942849677 (5.90973e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.578884911739184 (1.20635e-06% change) large trace change predicted (4.12673e-06%) linmin: converged after 5 iterations. iteration 334: trace = 2.578884805325893 (4.12633e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.578884746894556 (2.26576e-06% change) linmin: converged after 6 iterations. iteration 336: trace = 2.578884706368988 (1.57144e-06% change) large trace change predicted (4.06737e-06%) linmin: converged after 5 iterations. iteration 337: trace = 2.578884601490427 (4.06682e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.578884532356412 (2.68077e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.578884496685799 (1.38318e-06% change) large trace change predicted (3.59514e-06%) linmin: converged after 3 iterations. iteration 340: trace = 2.578884403981171 (3.59476e-06% change) linmin: converged after 12 iterations. iteration 341: trace = 2.578884343773542 (2.33464e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.578884302839719 (1.58727e-06% change) linmin: converged after 7 iterations. iteration 343: trace = 2.578884226581733 (2.95701e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884176059018 (1.95909e-06% change) linmin: converged after 2 iterations. iteration 345: trace = 2.578884132039063 (1.70694e-06% change) linmin: converged after 9 iterations. iteration 346: trace = 2.578884053158279 (3.05872e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.578884026804089 (1.02192e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.578883975950462 (1.97192e-06% change) large trace change predicted (5.59714e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.578883831589889 (5.59779e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.578883787428639 (1.71242e-06% change) linmin: converged after 2 iterations. iteration 351: trace = 2.578883727682665 (2.31674e-06% change) linmin: converged after 4 iterations. iteration 352: trace = 2.578883710769609 (6.55829e-07% change) large trace change predicted (1.48291e-06%) linmin: converged after 2 iterations. iteration 353: trace = 2.578883672525959 (1.48295e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.578883626437531 (1.78715e-06% change) linmin: converged after 2 iterations. iteration 355: trace = 2.57888361443256 (4.6551e-07% change) large trace change predicted (2.66047e-06%) linmin: converged after 2 iterations. iteration 356: trace = 2.578883545820442 (2.66054e-06% change) linmin: converged after 10 iterations. iteration 357: trace = 2.578883510934476 (1.35275e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.578883493600207 (6.72162e-07% change) large trace change predicted (1.81901e-06%) linmin: converged after 5 iterations. iteration 359: trace = 2.578883446688221 (1.81908e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883419241249 (1.0643e-06% change) linmin: converged after 4 iterations. iteration 361: trace = 2.578883395672214 (9.13924e-07% change) linmin: converged after 3 iterations. iteration 362: trace = 2.578883351381946 (1.71742e-06% change) linmin: converged after 10 iterations. iteration 363: trace = 2.578883332161527 (7.453e-07% change) linmin: converged after 3 iterations. iteration 364: trace = 2.578883294488488 (1.46083e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.578883255842485 (1.49856e-06% change) linmin: converged after 20 iterations. iteration 366: trace = 2.578883233252328 (8.75967e-07% change) linmin: converged after 3 iterations. iteration 367: trace = 2.578883188608104 (1.73115e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.57888311923538 (2.69003e-06% change) linmin: converged after 8 iterations. iteration 369: trace = 2.578883101156229 (7.01046e-07% change) large trace change predicted (2.35309e-06%) linmin: converged after 6 iterations. iteration 370: trace = 2.578883040470175 (2.35319e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578882999922161 (1.57231e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.578882983701804 (6.28968e-07% change) large trace change predicted (1.95966e-06%) linmin: converged after 5 iterations. iteration 373: trace = 2.578882933165549 (1.95962e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.578882922901672 (3.97997e-07% change) large trace change predicted (1.61179e-06%) linmin: converged after 17 iterations. iteration 375: trace = 2.578882881337116 (1.61173e-06% change) linmin: converged after 7 iterations. iteration 376: trace = 2.578882845368064 (1.39475e-06% change) linmin: converged after 3 iterations. iteration 377: trace = 2.57888282226354 (8.95912e-07% change) linmin: converged after 19 iterations. iteration 378: trace = 2.578882782773172 (1.5313e-06% change) linmin: converged after 3 iterations. iteration 379: trace = 2.578882736326661 (1.80103e-06% change) linmin: converged after 6 iterations. iteration 380: trace = 2.578882707110358 (1.13291e-06% change) linmin: converged after 17 iterations. iteration 381: trace = 2.578882698197316 (3.45616e-07% change) large trace change predicted (1.08984e-06%) linmin: converged after 18 iterations. iteration 382: trace = 2.578882670092713 (1.0898e-06% change) linmin: converged after 4 iterations. iteration 383: trace = 2.578882651493553 (7.2121e-07% change) linmin: converged after 5 iterations. iteration 384: trace = 2.578882635705857 (6.12191e-07% change) linmin: converged after 18 iterations. iteration 385: trace = 2.578882606918106 (1.11629e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.578882596409473 (4.07488e-07% change) large trace change predicted (1.02652e-06%) linmin: converged after 9 iterations. iteration 387: trace = 2.578882569937092 (1.02651e-06% change) linmin: converged after 3 iterations. iteration 388: trace = 2.578882546906278 (8.93054e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.578882538646775 (3.20274e-07% change) large trace change predicted (1.17093e-06%) linmin: converged after 3 iterations. iteration 390: trace = 2.578882508450296 (1.17091e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.57888248175721 (1.03506e-06% change) linmin: converged after 23 iterations. iteration 392: trace = 2.57888246771628 (5.44458e-07% change) linmin: converged after 12 iterations. iteration 393: trace = 2.578882440382904 (1.05989e-06% change) linmin: converged after 22 iterations. iteration 394: trace = 2.578882429155668 (4.35353e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882411726395 (6.75846e-07% change) linmin: converged after 16 iterations. iteration 396: trace = 2.57888238249544 (1.13347e-06% change) linmin: converged after 16 iterations. iteration 397: trace = 2.578882375761973 (2.611e-07% change) large trace change predicted (1.13902e-06%) linmin: converged after 8 iterations. iteration 398: trace = 2.578882346386652 (1.13907e-06% change) linmin: converged after 6 iterations. iteration 399: trace = 2.578882322492689 (9.26524e-07% change) linmin: converged after 5 iterations. iteration 400: trace = 2.578882296853085 (9.94214e-07% change) linmin: converged after 4 iterations. iteration 401: trace = 2.578882283036466 (5.3576e-07% change) linmin: converged after 3 iterations. iteration 402: trace = 2.578882259247962 (9.22435e-07% change) linmin: converged after 8 iterations. iteration 403: trace = 2.578882253048294 (2.40401e-07% change) large trace change predicted (9.12718e-07%) linmin: converged after 3 iterations. iteration 404: trace = 2.578882229509886 (9.12737e-07% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882213745921 (6.11271e-07% change) linmin: converged after 2 iterations. iteration 406: trace = 2.578882204034727 (3.76566e-07% change) large trace change predicted (1.03258e-06%) linmin: converged after 3 iterations. iteration 407: trace = 2.578882177405655 (1.03258e-06% change) linmin: converged after 20 iterations. iteration 408: trace = 2.578882158867924 (7.18828e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.578882151401041 (2.8954e-07% change) large trace change predicted (8.89748e-07%) linmin: converged after 6 iterations. iteration 410: trace = 2.578882128456061 (8.89726e-07% change) linmin: converged after 3 iterations. iteration 411: trace = 2.578882119414891 (3.50585e-07% change) linmin: converged after 6 iterations. iteration 412: trace = 2.578882112325331 (2.74908e-07% change) large trace change predicted (6.993e-07%) linmin: converged after 3 iterations. iteration 413: trace = 2.578882094291598 (6.99285e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.578882088279239 (2.33138e-07% change) large trace change predicted (6.03677e-07%) linmin: converged after 3 iterations. iteration 415: trace = 2.578882072711671 (6.03656e-07% change) linmin: converged after 25 iterations. iteration 416: trace = 2.57888205784317 (5.76548e-07% change) linmin: converged after 11 iterations. iteration 417: trace = 2.578882053686566 (1.61179e-07% change) large trace change predicted (3.41588e-07%) linmin: converged after 2 iterations. iteration 418: trace = 2.578882044877427 (3.41587e-07% change) large trace change predicted (8.48362e-07%) linmin: converged after 3 iterations. iteration 419: trace = 2.578882022999955 (8.48332e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.578882018036027 (1.92484e-07% change) large trace change predicted (4.99921e-07%) linmin: converged after 6 iterations. iteration 421: trace = 2.578882005143709 (4.99919e-07% change) linmin: converged after 7 iterations. iteration 422: trace = 2.578882000480407 (1.80826e-07% change) linmin: converged after 4 iterations. iteration 423: trace = 2.57888199508686 (2.09143e-07% change) linmin: converged after 2 iterations. iteration 424: trace = 2.578881986078816 (3.493e-07% change) linmin: converged after 3 iterations. iteration 425: trace = 2.578881980897567 (2.00911e-07% change) linmin: converged after 17 iterations. iteration 426: trace = 2.578881972760577 (3.15524e-07% change) linmin: converged after 4 iterations. iteration 427: trace = 2.578881963278529 (3.67681e-07% change) linmin: converged after 9 iterations. iteration 428: trace = 2.578881960156713 (1.21053e-07% change) large trace change predicted (2.58388e-07%) linmin: converged after 3 iterations. iteration 429: trace = 2.578881953493202 (2.58388e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.578881944208897 (3.60013e-07% change) linmin: converged after 10 iterations. iteration 431: trace = 2.578881941320344 (1.12008e-07% change) large trace change predicted (3.97488e-07%) linmin: converged after 2 iterations. iteration 432: trace = 2.578881931069589 (3.97488e-07% change) linmin: converged after 5 iterations. iteration 433: trace = 2.578881919322083 (4.55527e-07% change) linmin: converged after 2 iterations. iteration 434: trace = 2.578881916033942 (1.27503e-07% change) large trace change predicted (3.15021e-07%) linmin: converged after 7 iterations. iteration 435: trace = 2.578881907910106 (3.15014e-07% change) linmin: converged after 4 iterations. iteration 436: trace = 2.578881898638511 (3.5952e-07% change) linmin: converged after 20 iterations. iteration 437: trace = 2.57888189609551 (9.86087e-08% change) large trace change predicted (4.37393e-07%) linmin: converged after 3 iterations. iteration 438: trace = 2.57888188481579 (4.37388e-07% change) linmin: converged after 9 iterations. iteration 439: trace = 2.578881880093123 (1.83128e-07% change) linmin: converged after 2 iterations. iteration 440: trace = 2.578881872462959 (2.95871e-07% change) linmin: converged after 7 iterations. iteration 441: trace = 2.578881865771234 (2.59482e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881863196086 (9.98552e-08% change) large trace change predicted (2.88732e-07%) linmin: converged after 20 iterations. iteration 443: trace = 2.57888185575016 (2.88727e-07% change) linmin: converged after 3 iterations. iteration 444: trace = 2.578881851130179 (1.79147e-07% change) linmin: converged after 19 iterations. iteration 445: trace = 2.57888184763583 (1.35499e-07% change) linmin: converged after 2 iterations. iteration 446: trace = 2.578881843252722 (1.69962e-07% change) linmin: converged after 4 iterations. iteration 447: trace = 2.5788818361513 (2.75368e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881833878897 (8.81158e-08% change) large trace change predicted (2.03507e-07%) linmin: converged after 4 iterations. iteration 449: trace = 2.578881828630687 (2.03507e-07% change) linmin: converged after 2 iterations. iteration 450: trace = 2.578881823351386 (2.04713e-07% change) linmin: converged after 5 iterations. iteration 451: trace = 2.578881821588936 (6.83416e-08% change) large trace change predicted (1.49601e-07%) linmin: converged after 6 iterations. iteration 452: trace = 2.578881817730882 (1.49602e-07% change) linmin: converged after 10 iterations. iteration 453: trace = 2.578881813696639 (1.56434e-07% change) linmin: converged after 2 iterations. iteration 454: trace = 2.578881812279746 (5.49421e-08% change) large trace change predicted (1.67867e-07%) linmin: converged after 7 iterations. iteration 455: trace = 2.578881807950603 (1.67869e-07% change) linmin: converged after 11 iterations. iteration 456: trace = 2.578881803726511 (1.63795e-07% change) linmin: converged after 4 iterations. iteration 457: trace = 2.578881802023248 (6.60466e-08% change) large trace change predicted (1.67245e-07%) linmin: converged after 3 iterations. iteration 458: trace = 2.578881797710136 (1.67247e-07% change) linmin: converged after 4 iterations. iteration 459: trace = 2.578881795273527 (9.44831e-08% change) linmin: converged after 4 iterations. iteration 460: trace = 2.578881792565397 (1.05012e-07% change) large trace change predicted (2.49084e-07%) linmin: converged after 4 iterations. iteration 461: trace = 2.578881786141749 (2.49087e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881784932518 (4.68898e-08% change) large trace change predicted (2.09026e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.578881779541964 (2.09027e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.578881776039797 (1.35802e-07% change) linmin: converged after 7 iterations. iteration 465: trace = 2.578881774355003 (6.53304e-08% change) linmin: converged after 11 iterations. iteration 466: trace = 2.57888177167042 (1.04099e-07% change) linmin: converged after 7 iterations. iteration 467: trace = 2.578881767015368 (1.80507e-07% change) linmin: converged after 5 iterations. iteration 468: trace = 2.578881765810324 (4.67274e-08% change) large trace change predicted (1.05045e-07%) linmin: converged after 9 iterations. iteration 469: trace = 2.578881763101387 (1.05043e-07% change) linmin: converged after 25 iterations. iteration 470: trace = 2.578881758481351 (1.79149e-07% change) linmin: converged after 4 iterations. iteration 471: trace = 2.578881757487146 (3.85518e-08% change) large trace change predicted (1.41088e-07%) linmin: converged after 10 iterations. iteration 472: trace = 2.578881753848733 (1.41085e-07% change) linmin: converged after 4 iterations. iteration 473: trace = 2.578881752064797 (6.91748e-08% change) linmin: converged after 21 iterations. iteration 474: trace = 2.578881750181131 (7.3042e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.578881748042094 (8.29443e-08% change) linmin: converged after 9 iterations. iteration 476: trace = 2.578881745675418 (9.17714e-08% change) linmin: converged after 15 iterations. iteration 477: trace = 2.578881744819092 (3.32053e-08% change) large trace change predicted (8.422e-08%) linmin: converged after 4 iterations. iteration 478: trace = 2.578881742647168 (8.42196e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.578881740267677 (9.22683e-08% change) linmin: converged after 2 iterations. iteration 480: trace = 2.578881739670091 (2.31723e-08% change) large trace change predicted (8.23764e-08%) linmin: converged after 6 iterations. iteration 481: trace = 2.578881737545711 (8.2376e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.578881736055372 (5.77901e-08% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881735001202 (4.0877e-08% change) large trace change predicted (1.09244e-07%) linmin: converged after 2 iterations. iteration 484: trace = 2.57888173218391 (1.09245e-07% change) linmin: converged after 4 iterations. iteration 485: trace = 2.57888173174537 (1.70051e-08% change) large trace change predicted (7.21569e-08%) linmin: converged after 4 iterations. iteration 486: trace = 2.578881729884523 (7.21571e-08% change) linmin: converged after 3 iterations. iteration 487: trace = 2.578881728540286 (5.21248e-08% change) linmin: converged after 4 iterations. iteration 488: trace = 2.578881728084308 (1.76812e-08% change) large trace change predicted (8.86026e-08%) linmin: converged after 2 iterations. iteration 489: trace = 2.578881725799334 (8.86033e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.578881724199215 (6.2047e-08% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881723700885 (1.93235e-08% change) large trace change predicted (4.36299e-08%) linmin: converged after 2 iterations. iteration 492: trace = 2.578881722575718 (4.363e-08% change) linmin: converged after 6 iterations. iteration 493: trace = 2.578881721302573 (4.93681e-08% change) linmin: converged after 4 iterations. iteration 494: trace = 2.57888172097647 (1.26451e-08% change) large trace change predicted (6.56184e-08%) linmin: converged after 4 iterations. iteration 495: trace = 2.578881719284238 (6.56188e-08% change) linmin: converged after 4 iterations. iteration 496: trace = 2.5788817185793 (2.7335e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.578881717626942 (3.69291e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.578881716276315 (5.23726e-08% change) linmin: converged after 4 iterations. iteration 499: trace = 2.578881715922764 (1.37095e-08% change) large trace change predicted (4.36845e-08%) linmin: converged after 34 iterations. iteration 500: trace = 2.57888171479618 (4.3685e-08% change) linmin: converged after 3 iterations. iteration 501: trace = 2.578881713592619 (4.66699e-08% change) linmin: converged after 19 iterations. iteration 502: trace = 2.578881713233648 (1.39196e-08% change) large trace change predicted (5.85684e-08%) linmin: converged after 12 iterations. iteration 503: trace = 2.578881711723232 (5.85686e-08% change) linmin: converged after 4 iterations. iteration 504: trace = 2.578881710682981 (4.03373e-08% change) linmin: converged after 6 iterations. iteration 505: trace = 2.578881710298456 (1.49105e-08% change) large trace change predicted (5.34962e-08%) linmin: converged after 3 iterations. iteration 506: trace = 2.578881708918841 (5.34966e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881706934972 (7.69275e-08% change) linmin: converged after 6 iterations. iteration 508: trace = 2.578881706493676 (1.71119e-08% change) large trace change predicted (7.26359e-08%) linmin: converged after 2 iterations. iteration 509: trace = 2.578881704620468 (7.26364e-08% change) linmin: converged after 7 iterations. iteration 510: trace = 2.578881703557781 (4.12073e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.57888170306053 (1.92817e-08% change) large trace change predicted (6.2136e-08%) linmin: converged after 3 iterations. iteration 512: trace = 2.578881701458116 (6.2136e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881700575905 (3.4209e-08% change) linmin: converged after 8 iterations. iteration 514: trace = 2.578881700135705 (1.70694e-08% change) large trace change predicted (3.65989e-08%) linmin: converged after 4 iterations. iteration 515: trace = 2.57888169919187 (3.65986e-08% change) linmin: converged after 8 iterations. iteration 516: trace = 2.578881698667062 (2.03502e-08% change) large trace change predicted (4.33297e-08%) linmin: converged after 5 iterations. iteration 517: trace = 2.578881697549647 (4.33294e-08% change) linmin: converged after 4 iterations. iteration 518: trace = 2.578881696324325 (4.75137e-08% change) linmin: converged after 25 iterations. iteration 519: trace = 2.57888169600708 (1.23016e-08% change) large trace change predicted (4.1849e-08%) linmin: converged after 4 iterations. iteration 520: trace = 2.578881694927853 (4.18487e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.57888169397055 (3.71208e-08% change) linmin: converged after 5 iterations. iteration 522: trace = 2.578881693669353 (1.16793e-08% change) large trace change predicted (2.66252e-08%) linmin: converged after 4 iterations. iteration 523: trace = 2.578881692982725 (2.6625e-08% change) linmin: converged after 8 iterations. iteration 524: trace = 2.578881692020798 (3.73002e-08% change) linmin: converged after 10 iterations. iteration 525: trace = 2.57888169123491 (3.0474e-08% change) linmin: converged after 4 iterations. iteration 526: trace = 2.578881690943892 (1.12847e-08% change) large trace change predicted (3.02e-08%) linmin: converged after 4 iterations. iteration 527: trace = 2.578881690165073 (3.01999e-08% change) linmin: converged after 4 iterations. iteration 528: trace = 2.578881689591832 (2.22283e-08% change) linmin: converged after 4 iterations. iteration 529: trace = 2.578881689113094 (1.85638e-08% change) large trace change predicted (4.54348e-08%) linmin: converged after 4 iterations. iteration 530: trace = 2.578881687941377 (4.54351e-08% change) linmin: converged after 19 iterations. iteration 531: trace = 2.578881687765515 (6.81933e-09% change) large trace change predicted (2.51113e-08%) linmin: converged after 7 iterations. iteration 532: trace = 2.578881687117923 (2.51114e-08% change) linmin: converged after 3 iterations. iteration 533: trace = 2.578881686412728 (2.7345e-08% change) linmin: converged after 3 iterations. iteration 534: trace = 2.578881686189741 (8.64667e-09% change) large trace change predicted (2.93959e-08%) linmin: converged after 4 iterations. iteration 535: trace = 2.578881685431647 (2.93962e-08% change) linmin: converged after 6 iterations. iteration 536: trace = 2.578881684898233 (2.06839e-08% change) linmin: converged after 3 iterations. iteration 537: trace = 2.578881684534024 (1.41228e-08% change) linmin: converged after 4 iterations. iteration 538: trace = 2.578881683860328 (2.61236e-08% change) linmin: converged after 18 iterations. iteration 539: trace = 2.578881683414849 (1.72741e-08% change) linmin: converged after 17 iterations. iteration 540: trace = 2.578881682843232 (2.21653e-08% change) linmin: converged after 10 iterations. iteration 541: trace = 2.578881682078875 (2.96391e-08% change) linmin: converged after 4 iterations. iteration 542: trace = 2.578881681873473 (7.96477e-09% change) large trace change predicted (2.41295e-08%) linmin: converged after 4 iterations. iteration 543: trace = 2.5788816812512 (2.41296e-08% change) linmin: converged after 4 iterations. iteration 544: trace = 2.578881680685953 (2.19183e-08% change) linmin: converged after 27 iterations. iteration 545: trace = 2.578881680465422 (8.55141e-09% change) large trace change predicted (2.32401e-08%) linmin: converged after 5 iterations. iteration 546: trace = 2.578881679866085 (2.32402e-08% change) linmin: converged after 4 iterations. iteration 547: trace = 2.578881679352349 (1.99209e-08% change) linmin: converged after 2 iterations. iteration 548: trace = 2.578881679130124 (8.6171e-09% change) large trace change predicted (2.61111e-08%) linmin: converged after 4 iterations. iteration 549: trace = 2.578881678456751 (2.6111e-08% change) linmin: converged after 4 iterations. iteration 550: trace = 2.578881678309969 (5.6917e-09% change) large trace change predicted (1.35281e-08%) linmin: converged after 4 iterations. iteration 551: trace = 2.578881677961094 (1.35282e-08% change) linmin: converged after 9 iterations. iteration 552: trace = 2.578881677459679 (1.94431e-08% change) linmin: converged after 7 iterations. iteration 553: trace = 2.578881676870913 (2.28303e-08% change) linmin: converged after 6 iterations. iteration 554: trace = 2.578881676777579 (3.61914e-09% change) large trace change predicted (1.28753e-08%) linmin: converged after 3 iterations. iteration 555: trace = 2.57888167644554 (1.28753e-08% change) linmin: converged after 4 iterations. iteration 556: trace = 2.578881676145382 (1.16391e-08% change) linmin: converged after 6 iterations. iteration 557: trace = 2.578881676060115 (3.30635e-09% change) large trace change predicted (1.73391e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881675612961 (1.73391e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.578881675129341 (1.87531e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881674741831 (1.50263e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881674415455 (1.26557e-08% change) linmin: converged after 8 iterations. iteration 562: trace = 2.578881674348869 (2.58198e-09% change) large trace change predicted (8.11202e-09%) linmin: converged after 12 iterations. iteration 563: trace = 2.578881674139674 (8.11186e-09% change) linmin: converged after 14 iterations. iteration 564: trace = 2.578881673915212 (8.70384e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.578881673857309 (2.24528e-09% change) large trace change predicted (1.14286e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.578881673562579 (1.14286e-08% change) linmin: converged after 2 iterations. iteration 567: trace = 2.578881673338451 (8.69091e-09% change) linmin: converged after 12 iterations. iteration 568: trace = 2.578881673260053 (3.04001e-09% change) large trace change predicted (9.59146e-09%) linmin: converged after 2 iterations. iteration 569: trace = 2.578881673012701 (9.59142e-09% change) linmin: converged after 4 iterations. iteration 570: trace = 2.57888167276942 (9.4336e-09% change) linmin: converged after 19 iterations. iteration 571: trace = 2.578881672637654 (5.10943e-09% change) large trace change predicted (1.15457e-08%) linmin: converged after 4 iterations. iteration 572: trace = 2.578881672339906 (1.15456e-08% change) linmin: converged after 11 iterations. iteration 573: trace = 2.578881672096867 (9.42422e-09% change) linmin: converged after 5 iterations. iteration 574: trace = 2.57888167193166 (6.40613e-09% change) linmin: converged after 4 iterations. iteration 575: trace = 2.578881671698264 (9.0503e-09% change) linmin: converged after 16 iterations. iteration 576: trace = 2.578881671555548 (5.53401e-09% change) linmin: converged after 16 iterations. iteration 577: trace = 2.578881671342673 (8.25453e-09% change) linmin: converged after 14 iterations. iteration 578: trace = 2.578881671038862 (1.17807e-08% change) linmin: converged after 21 iterations. iteration 579: trace = 2.578881670982437 (2.18798e-09% change) large trace change predicted (9.66507e-09%) linmin: converged after 12 iterations. iteration 580: trace = 2.578881670733185 (9.66509e-09% change) linmin: converged after 4 iterations. iteration 581: trace = 2.578881670550706 (7.07593e-09% change) linmin: converged after 34 iterations. iteration 582: trace = 2.578881670486859 (2.47575e-09% change) large trace change predicted (7.42109e-09%) linmin: converged after 4 iterations. iteration 583: trace = 2.578881670295477 (7.42112e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.578881670170901 (4.83062e-09% change) linmin: converged after 21 iterations. iteration 585: trace = 2.578881670093269 (3.0103e-09% change) linmin: converged after 13 iterations. iteration 586: trace = 2.578881669968544 (4.8364e-09% change) linmin: converged after 15 iterations. iteration 587: trace = 2.578881669888689 (3.09649e-09% change) linmin: converged after 15 iterations. iteration 588: trace = 2.578881669779756 (4.22403e-09% change) linmin: converged after 3 iterations. iteration 589: trace = 2.578881669577097 (7.8584e-09% change) linmin: converged after 5 iterations. iteration 590: trace = 2.578881669411678 (6.4144e-09% change) linmin: converged after 6 iterations. iteration 591: trace = 2.578881669314791 (3.75692e-09% change) linmin: converged after 4 iterations. iteration 592: trace = 2.578881669246105 (2.66342e-09% change) large trace change predicted (5.48993e-09%) linmin: converged after 5 iterations. iteration 593: trace = 2.578881669104524 (5.49e-09% change) linmin: converged after 18 iterations. iteration 594: trace = 2.578881669055947 (1.88367e-09% change) large trace change predicted (4.03739e-09%) linmin: converged after 5 iterations. iteration 595: trace = 2.578881668951825 (4.03747e-09% change) linmin: converged after 4 iterations. iteration 596: trace = 2.578881668800808 (5.85591e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.57888166876385 (1.4331e-09% change) large trace change predicted (4.54405e-09%) linmin: converged after 4 iterations. iteration 598: trace = 2.578881668646666 (4.54399e-09% change) linmin: converged after 18 iterations. iteration 599: trace = 2.57888166854802 (3.82516e-09% change) linmin: converged after 18 iterations. iteration 600: trace = 2.578881668502084 (1.78123e-09% change) large trace change predicted (6.67171e-09%) linmin: converged after 18 iterations. iteration 601: trace = 2.578881668330029 (6.67168e-09% change) linmin: converged after 2 iterations. iteration 602: trace = 2.578881668206561 (4.78765e-09% change) linmin: converged after 21 iterations. iteration 603: trace = 2.578881668149123 (2.22726e-09% change) linmin: converged after 6 iterations. iteration 604: trace = 2.578881668070058 (3.06585e-09% change) linmin: converged after 8 iterations. iteration 605: trace = 2.578881668013641 (2.18764e-09% change) linmin: converged after 4 iterations. iteration 606: trace = 2.578881667962852 (1.96943e-09% change) large trace change predicted (4.5369e-09%) linmin: converged after 3 iterations. iteration 607: trace = 2.578881667845853 (4.53682e-09% change) linmin: converged after 15 iterations. iteration 608: trace = 2.578881667822096 (9.21213e-10% change) large trace change predicted (3.41204e-09%) linmin: converged after 3 iterations. iteration 609: trace = 2.578881667734104 (3.41202e-09% change) linmin: converged after 26 iterations. iteration 610: trace = 2.578881667615307 (4.60653e-09% change) linmin: converged after 18 iterations. iteration 611: trace = 2.578881667584056 (1.21182e-09% change) large trace change predicted (3.7207e-09%) linmin: converged after 3 iterations. iteration 612: trace = 2.578881667488102 (3.72074e-09% change) linmin: converged after 4 iterations. iteration 613: trace = 2.578881667397028 (3.53154e-09% change) linmin: converged after 5 iterations. iteration 614: trace = 2.578881667377971 (7.38971e-10% change) large trace change predicted (2.39218e-09%) linmin: converged after 3 iterations. iteration 615: trace = 2.578881667316278 (2.39222e-09% change) linmin: converged after 4 iterations. iteration 616: trace = 2.578881667262499 (2.08535e-09% change) linmin: converged after 2 iterations. iteration 617: trace = 2.578881667236426 (1.01105e-09% change) large trace change predicted (2.24196e-09%) linmin: converged after 5 iterations. iteration 618: trace = 2.578881667178608 (2.24197e-09% change) linmin: converged after 15 iterations. iteration 619: trace = 2.57888166710445 (2.87559e-09% change) linmin: converged after 4 iterations. iteration 620: trace = 2.578881667081834 (8.76974e-10% change) large trace change predicted (2.03423e-09%) linmin: converged after 4 iterations. iteration 621: trace = 2.578881667029376 (2.03414e-09% change) linmin: converged after 6 iterations. iteration 622: trace = 2.578881666972205 (2.21686e-09% change) linmin: converged after 5 iterations. iteration 623: trace = 2.578881666948993 (9.00084e-10% change) large trace change predicted (1.92817e-09%) linmin: converged after 5 iterations. iteration 624: trace = 2.578881666899269 (1.92813e-09% change) linmin: converged after 5 iterations. iteration 625: trace = 2.578881666854048 (1.75352e-09% change) linmin: converged after 3 iterations. iteration 626: trace = 2.578881666836678 (6.73552e-10% change) linmin: converged after 9 iterations. iteration 627: trace = 2.578881666807558 (1.12918e-09% change) linmin: converged after 16 iterations. iteration 628: trace = 2.578881666761698 (1.77828e-09% change) linmin: converged after 20 iterations. iteration 629: trace = 2.578881666747757 (5.40577e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.578881666734561 (5.11699e-10% change) large trace change predicted (1.41253e-09%) linmin: converged after 3 iterations. iteration 631: trace = 2.578881666698132 (1.41258e-09% change) linmin: converged after 4 iterations. iteration 632: trace = 2.578881666679633 (7.17343e-10% change) linmin: converged after 2 iterations. iteration 633: trace = 2.578881666659662 (7.74393e-10% change) linmin: converged after 12 iterations. iteration 634: trace = 2.578881666624293 (1.37149e-09% change) linmin: converged after 12 iterations. iteration 635: trace = 2.578881666591414 (1.27492e-09% change) linmin: converged after 4 iterations. iteration 636: trace = 2.578881666572411 (7.36905e-10% change) linmin: converged after 15 iterations. iteration 637: trace = 2.578881666536491 (1.39284e-09% change) linmin: converged after 3 iterations. iteration 638: trace = 2.578881666519879 (6.44157e-10% change) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666490645 (1.13357e-09% change) linmin: converged after 7 iterations. iteration 640: trace = 2.578881666447951 (1.65554e-09% change) linmin: converged after 13 iterations. iteration 641: trace = 2.578881666437166 (4.18193e-10% change) large trace change predicted (1.32415e-09%) linmin: converged after 3 iterations. iteration 642: trace = 2.578881666403018 (1.32417e-09% change) linmin: converged after 4 iterations. iteration 643: trace = 2.578881666370014 (1.27977e-09% change) linmin: converged after 9 iterations. iteration 644: trace = 2.578881666356266 (5.33104e-10% change) large trace change predicted (1.28775e-09%) linmin: converged after 3 iterations. iteration 645: trace = 2.578881666323056 (1.28775e-09% change) linmin: converged after 4 iterations. iteration 646: trace = 2.578881666284769 (1.48464e-09% change) linmin: converged after 15 iterations. iteration 647: trace = 2.57888166626755 (6.6768e-10% change) large trace change predicted (2.18421e-09%) linmin: converged after 15 iterations. iteration 648: trace = 2.578881666211223 (2.18418e-09% change) linmin: converged after 4 iterations. iteration 649: trace = 2.578881666161092 (1.94391e-09% change) linmin: converged after 4 iterations. iteration 650: trace = 2.578881666137625 (9.09986e-10% change) linmin: converged after 9 iterations. iteration 651: trace = 2.578881666119836 (6.89773e-10% change) large trace change predicted (1.54761e-09%) linmin: converged after 6 iterations. iteration 652: trace = 2.578881666079925 (1.5476e-09% change) linmin: converged after 6 iterations. iteration 653: trace = 2.578881666072346 (2.93915e-10% change) large trace change predicted (1.18499e-09%) linmin: converged after 15 iterations. iteration 654: trace = 2.578881666041783 (1.1851e-09% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881666023541 (7.0739e-10% change) linmin: converged after 8 iterations. iteration 656: trace = 2.578881666013933 (3.72542e-10% change) large trace change predicted (1.56211e-09%) linmin: converged after 14 iterations. iteration 657: trace = 2.578881665973647 (1.56215e-09% change) linmin: converged after 5 iterations. iteration 658: trace = 2.578881665958586 (5.84041e-10% change) large trace change predicted (1.18351e-09%) linmin: converged after 12 iterations. iteration 659: trace = 2.578881665928064 (1.18351e-09% change) linmin: converged after 4 iterations. iteration 660: trace = 2.578881665896271 (1.23283e-09% change) linmin: converged after 18 iterations. iteration 661: trace = 2.578881665869547 (1.03624e-09% change) linmin: converged after 6 iterations. iteration 662: trace = 2.578881665846329 (9.00325e-10% change) linmin: converged after 8 iterations. iteration 663: trace = 2.578881665835513 (4.19416e-10% change) large trace change predicted (1.02407e-09%) linmin: converged after 16 iterations. iteration 664: trace = 2.578881665809104 (1.02404e-09% change) linmin: converged after 6 iterations. iteration 665: trace = 2.578881665781986 (1.05154e-09% change) linmin: converged after 5 iterations. iteration 666: trace = 2.578881665774129 (3.04695e-10% change) large trace change predicted (8.77111e-10%) linmin: converged after 19 iterations. iteration 667: trace = 2.578881665751509 (8.77112e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.57888166573432 (6.66526e-10% change) linmin: converged after 7 iterations. iteration 669: trace = 2.57888166572261 (4.5408e-10% change) large trace change predicted (1.2797e-09%) linmin: converged after 14 iterations. iteration 670: trace = 2.578881665689609 (1.27965e-09% change) linmin: converged after 11 iterations. iteration 671: trace = 2.57888166567838 (4.35448e-10% change) linmin: converged after 6 iterations. iteration 672: trace = 2.578881665663239 (5.87106e-10% change) linmin: converged after 2 iterations. iteration 673: trace = 2.578881665647378 (6.15038e-10% change) linmin: converged after 3 iterations. iteration 674: trace = 2.578881665640836 (2.53671e-10% change) large trace change predicted (5.84627e-10%) linmin: converged after 7 iterations. iteration 675: trace = 2.578881665625756 (5.8473e-10% change) linmin: converged after 12 iterations. iteration 676: trace = 2.578881665608381 (6.73741e-10% change) linmin: converged after 4 iterations. iteration 677: trace = 2.578881665601331 (2.73371e-10% change) large trace change predicted (6.91937e-10%) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665583488 (6.91891e-10% change) linmin: converged after 6 iterations. iteration 679: trace = 2.578881665560611 (8.87083e-10% change) linmin: converged after 3 iterations. iteration 680: trace = 2.578881665555811 (1.86151e-10% change) large trace change predicted (7.97394e-10%) linmin: converged after 12 iterations. iteration 681: trace = 2.578881665535245 (7.97469e-10% change) linmin: converged after 2 iterations. iteration 682: trace = 2.578881665514945 (7.87171e-10% change) linmin: converged after 5 iterations. iteration 683: trace = 2.578881665509651 (2.05282e-10% change) large trace change predicted (6.21429e-10%) linmin: converged after 5 iterations. iteration 684: trace = 2.578881665493626 (6.21392e-10% change) linmin: converged after 4 iterations. iteration 685: trace = 2.578881665472401 (8.23023e-10% change) linmin: converged after 14 iterations. iteration 686: trace = 2.578881665458866 (5.24838e-10% change) linmin: converged after 4 iterations. iteration 687: trace = 2.578881665452661 (2.40601e-10% change) large trace change predicted (7.743e-10%) linmin: converged after 3 iterations. iteration 688: trace = 2.578881665432692 (7.74359e-10% change) linmin: converged after 8 iterations. iteration 689: trace = 2.578881665426378 (2.44803e-10% change) linmin: converged after 3 iterations. iteration 690: trace = 2.578881665417138 (3.58301e-10% change) linmin: converged after 3 iterations. iteration 691: trace = 2.578881665405462 (4.52771e-10% change) linmin: converged after 7 iterations. iteration 692: trace = 2.578881665398678 (2.63039e-10% change) linmin: converged after 3 iterations. iteration 693: trace = 2.578881665390305 (3.2467e-10% change) linmin: converged after 4 iterations. iteration 694: trace = 2.578881665382077 (3.19056e-10% change) linmin: converged after 3 iterations. iteration 695: trace = 2.578881665379014 (1.18802e-10% change) large trace change predicted (2.93848e-10%) linmin: converged after 3 iterations. iteration 696: trace = 2.578881665371436 (2.93846e-10% change) linmin: converged after 7 iterations. iteration 697: trace = 2.578881665360782 (4.1313e-10% change) linmin: converged after 6 iterations. iteration 698: trace = 2.578881665357843 (1.13946e-10% change) large trace change predicted (2.55688e-09%) linmin: converged after 7 iterations. iteration 699: trace = 2.578881665291902 (2.55695e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 700: trace = 2.578881665274781 (6.63909e-10% change) linmin: converged after 3 iterations. iteration 701: trace = 2.578881665264074 (4.15197e-10% change) linmin: converged after 6 iterations. iteration 702: trace = 2.578881665253634 (4.04796e-10% change) linmin: converged after 18 iterations. iteration 703: trace = 2.578881665249663 (1.54e-10% change) linmin: converged after 3 iterations. iteration 704: trace = 2.578881665245933 (1.44615e-10% change) linmin: converged after 12 iterations. iteration 705: trace = 2.578881665242204 (1.44615e-10% change) linmin: converged after 7 iterations. iteration 706: trace = 2.578881665240813 (5.39337e-11% change) Finished solving for bands 1 to 10 after 706 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 20.43720555305481 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744310720189251 (2.29525% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727852471972881 (0.601526% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712443777616932 (0.566465% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709058872322959 (0.12487% change) large trace change predicted (0.449865%) linmin: converged after 9 iterations. iteration 5: trace = 2.69734011843284 (0.433514% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694429050046893 (0.107982% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689689850317387 (0.176044% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684919884282326 (0.1775% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683316911671076 (0.0597206% change) large trace change predicted (0.123463%) linmin: converged after 4 iterations. iteration 10: trace = 2.680110263467411 (0.119575% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678993238104203 (0.041687% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677046733187474 (0.0726845% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675748820465309 (0.0484948% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675252680683625 (0.0185438% change) large trace change predicted (0.0689946%) linmin: converged after 5 iterations. iteration 15: trace = 2.67346597329726 (0.0668088% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672596867445147 (0.0325139% change) large trace change predicted (0.0848674%) linmin: converged after 5 iterations. iteration 17: trace = 2.670555630960925 (0.0764057% change) linmin: converged after 6 iterations. iteration 18: trace = 2.669703190681043 (0.0319251% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668899706366858 (0.0301009% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441135414632 (0.0171835% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667893695080067 (0.0205175% change) linmin: converged after 3 iterations. iteration 22: trace = 2.667711828257709 (0.0068171% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380066269575 (0.012437% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667218506539842 (0.00605705% change) large trace change predicted (0.0140632%) linmin: converged after 4 iterations. iteration 25: trace = 2.666847183970124 (0.0139227% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714050719994 (0.00499228% change) large trace change predicted (0.0115123%) linmin: converged after 4 iterations. iteration 27: trace = 2.666407481257716 (0.0114968% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666219765126516 (0.00704029% change) linmin: converged after 4 iterations. iteration 29: trace = 2.665972585116851 (0.00927123% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665788672860779 (0.00689874% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665603580743236 (0.00694348% change) linmin: converged after 3 iterations. iteration 32: trace = 2.66532189527575 (0.010568% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665174874056857 (0.00551623% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933443859625 (0.00905911% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826510978245 (0.00401267% change) large trace change predicted (0.00927245%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575217776214 (0.00943045% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664485626657054 (0.00336236% change) large trace change predicted (0.00824568%) linmin: converged after 3 iterations. iteration 38: trace = 2.664262774071768 (0.00836416% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167257526075 (0.00358517% change) large trace change predicted (0.00963685%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907226378902 (0.00976079% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663804604987036 (0.00385236% change) large trace change predicted (0.0104144%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525328025606 (0.0104847% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401198102265 (0.00466047% change) large trace change predicted (0.00944206%) linmin: converged after 4 iterations. iteration 44: trace = 2.663148712185487 (0.00948028% change) linmin: converged after 6 iterations. iteration 45: trace = 2.663044504422019 (0.00391303% change) large trace change predicted (0.00794052%) linmin: converged after 4 iterations. iteration 46: trace = 2.662832971136987 (0.0079436% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716434995939 (0.00437649% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492539337737 (0.0084089% change) linmin: converged after 11 iterations. iteration 49: trace = 2.66236283244764 (0.00487175% change) linmin: converged after 3 iterations. iteration 50: trace = 2.662194045171996 (0.00633996% change) linmin: converged after 3 iterations. iteration 51: trace = 2.66205790302513 (0.00511404% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661879644202263 (0.0066965% change) linmin: converged after 4 iterations. iteration 53: trace = 2.661724077320228 (0.00584442% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571264397487 (0.00574129% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350261038018 (0.00830384% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190543970582 (0.00600153% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967356745626 (0.0083871% change) linmin: converged after 6 iterations. iteration 58: trace = 2.66084894219053 (0.00445016% change) large trace change predicted (0.00999747%) linmin: converged after 4 iterations. iteration 59: trace = 2.660585787156261 (0.00989038% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492581618596 (0.00350326% change) large trace change predicted (0.00837978%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271380077558 (0.00831465% change) linmin: converged after 9 iterations. iteration 62: trace = 2.66016839862521 (0.00387116% change) large trace change predicted (0.0102882%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896174268077 (0.0102339% change) linmin: converged after 4 iterations. iteration 64: trace = 2.659777093213138 (0.00447701% change) linmin: converged after 16 iterations. iteration 65: trace = 2.659569936549389 (0.0077888% change) linmin: converged after 4 iterations. iteration 66: trace = 2.659406239947679 (0.00615519% change) linmin: converged after 3 iterations. iteration 67: trace = 2.659264069633216 (0.00534608% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119068065753 (0.00545284% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023567713694 (0.00359149% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.658915518024973 (0.00406359% change) large trace change predicted (0.0163822%) linmin: converged after 3 iterations. iteration 71: trace = 2.658477931298558 (0.0164587% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118698822947 (0.0135136% change) linmin: converged after 3 iterations. iteration 73: trace = 2.6578826877994 (0.00887927% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598063173263 (0.0107093% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541275282543 (0.00213684% change) large trace change predicted (0.00462906%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418043393698 (0.00463717% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657345904818911 (0.00271465% change) linmin: converged after 5 iterations. iteration 78: trace = 2.657324504418586 (0.000805333% change) large trace change predicted (0.00211718%) linmin: converged after 3 iterations. iteration 79: trace = 2.65726812451844 (0.0021217% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245442804093 (0.000853576% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219399588132 (0.000980088% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182420035737 (0.00139167% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657167830650788 (0.000549056% change) large trace change predicted (0.00207269%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112703520321 (0.00207468% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657051865613707 (0.00228965% change) linmin: converged after 6 iterations. iteration 86: trace = 2.657017384911624 (0.00129771% change) large trace change predicted (0.00419269%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905717027538 (0.00420284% change) linmin: converged after 5 iterations. iteration 88: trace = 2.656840560847606 (0.00245236% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716039735303 (0.00468692% change) linmin: converged after 5 iterations. iteration 90: trace = 2.656564553237366 (0.00570218% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504193582478 (0.00227212% change) large trace change predicted (0.00808347%) linmin: converged after 6 iterations. iteration 92: trace = 2.656289624947341 (0.00807743% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193268385515 (0.00362755% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063237378848 (0.00489551% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889727284173 (0.00653282% change) linmin: converged after 5 iterations. iteration 96: trace = 2.655838984705387 (0.00191059% change) large trace change predicted (0.00421268%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727107467247 (0.00421259% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616001927339 (0.00418371% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571079584873 (0.00169161% change) linmin: converged after 4 iterations. iteration 100: trace = 2.655503695461519 (0.00253749% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488862375846 (0.000558581% change) large trace change predicted (0.00182251%) linmin: converged after 3 iterations. iteration 102: trace = 2.655440487121477 (0.00182172% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383091257926 (0.00216147% change) linmin: converged after 4 iterations. iteration 104: trace = 2.655357407200625 (0.00096725% change) large trace change predicted (0.00357562%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262414143639 (0.00357748% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229470544152 (0.0012407% change) large trace change predicted (0.00270413%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157607179432 (0.00270652% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030860268541 (0.00477373% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980398710457 (0.00190062% change) large trace change predicted (0.00534894%) linmin: converged after 4 iterations. iteration 110: trace = 2.654838267138027 (0.00535354% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712051818144 (0.00475428% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658425288369 (0.00202007% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566771564713 (0.00345262% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539440221697 (0.0010296% change) large trace change predicted (0.00383221%) linmin: converged after 10 iterations. iteration 115: trace = 2.654437739626222 (0.00383127% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364485952645 (0.00275971% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340153295988 (0.000916708% change) large trace change predicted (0.00275116%) linmin: converged after 4 iterations. iteration 118: trace = 2.654267173597184 (0.00274949% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255130632591 (0.000453722% change) large trace change predicted (0.00136295%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218972864575 (0.00136227% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200837884285 (0.000683253% change) linmin: converged after 6 iterations. iteration 122: trace = 2.654193370484558 (0.000281343% change) large trace change predicted (0.000758536%) linmin: converged after 3 iterations. iteration 123: trace = 2.654173238734222 (0.000758491% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167262513064 (0.000225163% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157906092585 (0.000352519% change) linmin: converged after 3 iterations. iteration 126: trace = 2.6541474109401 (0.000395424% change) linmin: converged after 4 iterations. iteration 127: trace = 2.654143548274979 (0.000145533% change) large trace change predicted (0.00037652%) linmin: converged after 3 iterations. iteration 128: trace = 2.654133554682657 (0.000376529% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120940199619 (0.000475278% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109176544123 (0.000443223% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085860209573 (0.000878503% change) linmin: converged after 9 iterations. iteration 132: trace = 2.654077813923876 (0.000303166% change) large trace change predicted (0.000990373%) linmin: converged after 3 iterations. iteration 133: trace = 2.65405151411491 (0.000990926% change) linmin: converged after 10 iterations. iteration 134: trace = 2.654040090548244 (0.000430421% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033599276732 (0.000244581% change) linmin: converged after 4 iterations. iteration 136: trace = 2.654022196381761 (0.000429645% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018076732672 (0.000155223% change) large trace change predicted (0.000480596%) linmin: converged after 5 iterations. iteration 138: trace = 2.6540053208028 (0.000480628% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399701260248 (0.000313044% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.653995072622951 (7.30965e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992457914599 (9.85198e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.653990138191736 (8.74051e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988573841221 (5.89434e-05% change) linmin: converged after 7 iterations. iteration 144: trace = 2.653985733384756 (0.000107026% change) linmin: converged after 3 iterations. iteration 145: trace = 2.653984633699994 (4.14352e-05% change) linmin: converged after 7 iterations. iteration 146: trace = 2.653982730255898 (7.17203e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979590143471 (0.000118317% change) linmin: converged after 4 iterations. iteration 148: trace = 2.653979046158856 (2.04969e-05% change) large trace change predicted (9.46827e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.65397653319473 (9.46867e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975143933677 (5.23464e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.653973685500883 (5.49528e-05% change) large trace change predicted (0.000111651%) linmin: converged after 17 iterations. iteration 152: trace = 2.65397072235949 (0.000111649% change) linmin: converged after 4 iterations. iteration 153: trace = 2.653968422887145 (8.66428e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966778229177 (6.19698e-05% change) large trace change predicted (0.000206072%) linmin: converged after 4 iterations. iteration 155: trace = 2.653961308831428 (0.000206084% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959571535342 (6.54605e-05% change) large trace change predicted (0.000248982%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952963741474 (0.000248979% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947541730307 (0.0002043% change) linmin: converged after 4 iterations. iteration 159: trace = 2.653944305706972 (0.000121933% change) large trace change predicted (0.000321153%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935780343498 (0.000321234% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926966849087 (0.000332092% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925359028604 (6.05827e-05% change) large trace change predicted (0.000210602%) linmin: converged after 4 iterations. iteration 163: trace = 2.65391976924805 (0.000210623% change) linmin: converged after 17 iterations. iteration 164: trace = 2.653917946820538 (6.86693e-05% change) linmin: converged after 5 iterations. iteration 165: trace = 2.65391587325498 (7.81323e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.653913452691581 (9.12073e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912723011688 (2.74945e-05% change) large trace change predicted (0.00010017%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910064380991 (0.000100178% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908233250671 (6.89975e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907651692248 (2.19133e-05% change) large trace change predicted (7.38527e-05%) linmin: converged after 5 iterations. iteration 171: trace = 2.65390569198034 (7.38425e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904101957799 (5.99126e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.653903603409833 (1.87855e-05% change) large trace change predicted (7.00292e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.653901745111926 (7.00213e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.653900306857324 (5.4194e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899658285051 (2.44385e-05% change) large trace change predicted (8.21631e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897477989886 (8.21544e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.653894768331616 (0.000102101% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893721700098 (3.94376e-05% change) large trace change predicted (0.000173098%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889127741063 (0.000173103% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888301689328 (3.11261e-05% change) large trace change predicted (9.9375e-05%) linmin: converged after 4 iterations. iteration 182: trace = 2.653885664178016 (9.9383e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.653883534708797 (8.02397e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.65388244714941 (4.09799e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880512722957 (7.28905e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880045743448 (1.75961e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.653879271136693 (2.91877e-05% change) linmin: converged after 2 iterations. iteration 188: trace = 2.653878601164974 (2.5245e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.65387839923222 (7.60897e-06% change) large trace change predicted (1.8815e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877899909123 (1.88148e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877415225253 (1.82632e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.653877308064887 (4.03788e-06% change) large trace change predicted (1.20663e-05%) linmin: converged after 9 iterations. iteration 193: trace = 2.653876987844246 (1.20661e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.653876694273392 (1.1062e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.653876502535834 (7.22481e-06% change) large trace change predicted (1.82837e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.653876017326927 (1.8283e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875730435526 (1.08103e-05% change) large trace change predicted (2.53028e-05%) linmin: converged after 4 iterations. iteration 198: trace = 2.65387505896777 (2.53014e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874143199162 (3.45069e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873587128487 (2.09532e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.653872926115771 (2.49075e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.653871891579692 (3.89821e-05% change) linmin: converged after 5 iterations. iteration 203: trace = 2.653871533962996 (1.34753e-05% change) large trace change predicted (3.22609e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870677737544 (3.22633e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.653870098414399 (2.18294e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.653869958481918 (5.27277e-06% change) large trace change predicted (1.40713e-05%) linmin: converged after 2 iterations. iteration 207: trace = 2.653869585046398 (1.40714e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869331558584 (9.55163e-06% change) linmin: converged after 3 iterations. iteration 209: trace = 2.653869073793258 (9.71281e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868928387142 (5.47902e-06% change) linmin: converged after 4 iterations. iteration 211: trace = 2.653868857092424 (2.68644e-06% change) linmin: converged after 2 iterations. iteration 212: trace = 2.65386873933011 (4.43738e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.65386866321836 (2.86795e-06% change) large trace change predicted (7.16367e-06%) linmin: converged after 2 iterations. iteration 214: trace = 2.653868473091328 (7.16415e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.65386823291605 (9.05001e-06% change) linmin: converged after 4 iterations. iteration 216: trace = 2.653868158536181 (2.8027e-06% change) large trace change predicted (1.16688e-05%) linmin: converged after 2 iterations. iteration 217: trace = 2.653867848853766 (1.16691e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867624060448 (8.4704e-06% change) linmin: converged after 4 iterations. iteration 219: trace = 2.653867424841372 (7.50675e-06% change) linmin: converged after 2 iterations. iteration 220: trace = 2.653867051887665 (1.40532e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.653866945639587 (4.00352e-06% change) large trace change predicted (1.18308e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.653866631661312 (1.1831e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.653866328463746 (1.14247e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866259840266 (2.58579e-06% change) large trace change predicted (6.86595e-06%) linmin: converged after 3 iterations. iteration 225: trace = 2.653866077630008 (6.86584e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865953891287 (4.66258e-06% change) linmin: converged after 4 iterations. iteration 227: trace = 2.653865904222414 (1.87157e-06% change) large trace change predicted (5.11581e-06%) linmin: converged after 4 iterations. iteration 228: trace = 2.653865768460245 (5.11564e-06% change) linmin: converged after 15 iterations. iteration 229: trace = 2.653865722573007 (1.72907e-06% change) linmin: converged after 3 iterations. iteration 230: trace = 2.653865634085937 (3.33427e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 2.653865563346873 (2.66551e-06% change) linmin: converged after 4 iterations. iteration 232: trace = 2.653865517096515 (1.74275e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865445387104 (2.70207e-06% change) large trace change predicted (5.48256e-06%) linmin: converged after 4 iterations. iteration 234: trace = 2.653865299896762 (5.48221e-06% change) linmin: converged after 31 iterations. iteration 235: trace = 2.653865260101479 (1.49952e-06% change) large trace change predicted (6.70505e-06%) linmin: converged after 16 iterations. iteration 236: trace = 2.65386508216148 (6.70494e-06% change) linmin: converged after 19 iterations. iteration 237: trace = 2.653864875695126 (7.77984e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 2.653864810285054 (2.46471e-06% change) large trace change predicted (1.40667e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864436979287 (1.40665e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864107531354 (1.24139e-05% change) linmin: converged after 2 iterations. iteration 241: trace = 2.653863995754625 (4.21185e-06% change) large trace change predicted (8.632e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.65386376666474 (8.63231e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.653863480225768 (1.07933e-05% change) linmin: converged after 18 iterations. iteration 244: trace = 2.653863413507154 (2.51402e-06% change) large trace change predicted (8.55581e-06%) linmin: converged after 2 iterations. iteration 245: trace = 2.653863186434485 (8.55631e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653862991458418 (7.34688e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.653862947480986 (1.65711e-06% change) large trace change predicted (4.56274e-06%) linmin: converged after 3 iterations. iteration 248: trace = 2.653862826392717 (4.56272e-06% change) linmin: converged after 2 iterations. iteration 249: trace = 2.6538627628271 (2.39521e-06% change) linmin: converged after 19 iterations. iteration 250: trace = 2.653862731089022 (1.19592e-06% change) large trace change predicted (2.52084e-06%) linmin: converged after 17 iterations. iteration 251: trace = 2.653862664189748 (2.52083e-06% change) linmin: converged after 2 iterations. iteration 252: trace = 2.653862647829607 (6.16465e-07% change) large trace change predicted (1.98529e-06%) linmin: converged after 9 iterations. iteration 253: trace = 2.653862595143981 (1.98524e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862552086233 (1.62246e-06% change) linmin: converged after 2 iterations. iteration 255: trace = 2.65386253587435 (6.10879e-07% change) large trace change predicted (2.28298e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862475288986 (2.28291e-06% change) linmin: converged after 8 iterations. iteration 257: trace = 2.653862419487194 (2.10266e-06% change) linmin: converged after 8 iterations. iteration 258: trace = 2.653862351905472 (2.54654e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.653862229437915 (4.61469e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.65386217281177 (2.13373e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.65386211600357 (2.14059e-06% change) linmin: converged after 5 iterations. iteration 262: trace = 2.653862009912254 (3.99762e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.653861929841537 (3.01714e-06% change) linmin: converged after 3 iterations. iteration 264: trace = 2.653861895927139 (1.27793e-06% change) linmin: converged after 2 iterations. iteration 265: trace = 2.653861836832848 (2.22673e-06% change) linmin: converged after 14 iterations. iteration 266: trace = 2.653861806386794 (1.14724e-06% change) linmin: converged after 2 iterations. iteration 267: trace = 2.653861758226022 (1.81474e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861724585063 (1.26762e-06% change) linmin: converged after 4 iterations. iteration 269: trace = 2.65386171229236 (4.63201e-07% change) large trace change predicted (1.05116e-06%) linmin: converged after 2 iterations. iteration 270: trace = 2.653861684395931 (1.05116e-06% change) linmin: converged after 3 iterations. iteration 271: trace = 2.653861672875859 (4.34087e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861663197181 (3.64702e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.65386165054469 (4.76758e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.653861644323599 (2.34417e-07% change) linmin: converged after 2 iterations. iteration 275: trace = 2.653861636655866 (2.88927e-07% change) linmin: converged after 2 iterations. iteration 276: trace = 2.653861621449999 (5.72971e-07% change) linmin: converged after 2 iterations. iteration 277: trace = 2.65386161156802 (3.72362e-07% change) linmin: converged after 29 iterations. iteration 278: trace = 2.653861607092514 (1.68641e-07% change) large trace change predicted (1.65784e-06%) linmin: converged after 10 iterations. iteration 279: trace = 2.653861563096135 (1.65782e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.653861542977642 (7.58084e-07% change) linmin: converged after 7 iterations. iteration 281: trace = 2.653861531757491 (4.22786e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.653861520363027 (4.29354e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.653861516441563 (1.47764e-07% change) large trace change predicted (3.6401e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.653861506781217 (3.64011e-07% change) linmin: converged after 10 iterations. iteration 285: trace = 2.653861498684698 (3.05084e-07% change) linmin: converged after 3 iterations. iteration 286: trace = 2.653861495488235 (1.20446e-07% change) large trace change predicted (3.67928e-07%) linmin: converged after 2 iterations. iteration 287: trace = 2.65386148572389 (3.6793e-07% change) linmin: converged after 3 iterations. iteration 288: trace = 2.653861480979667 (1.78767e-07% change) linmin: converged after 2 iterations. iteration 289: trace = 2.653861474053367 (2.6099e-07% change) large trace change predicted (5.78655e-07%) linmin: converged after 2 iterations. iteration 290: trace = 2.653861458696677 (5.78655e-07% change) linmin: converged after 9 iterations. iteration 291: trace = 2.653861449187553 (3.58313e-07% change) linmin: converged after 2 iterations. iteration 292: trace = 2.653861436622548 (4.73461e-07% change) linmin: converged after 8 iterations. iteration 293: trace = 2.653861413033249 (8.88867e-07% change) linmin: converged after 3 iterations. iteration 294: trace = 2.65386140560214 (2.80011e-07% change) large trace change predicted (8.00157e-07%) linmin: converged after 3 iterations. iteration 295: trace = 2.653861384367119 (8.00156e-07% change) linmin: converged after 3 iterations. iteration 296: trace = 2.653861359256039 (9.46209e-07% change) linmin: converged after 27 iterations. iteration 297: trace = 2.653861351283248 (3.00422e-07% change) large trace change predicted (1.21719e-06%) linmin: converged after 9 iterations. iteration 298: trace = 2.653861318980856 (1.21718e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.653861292128991 (1.0118e-06% change) linmin: converged after 21 iterations. iteration 300: trace = 2.653861282795005 (3.51713e-07% change) large trace change predicted (8.31393e-07%) linmin: converged after 3 iterations. iteration 301: trace = 2.653861260730867 (8.31398e-07% change) linmin: converged after 6 iterations. iteration 302: trace = 2.653861247366827 (5.0357e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 2.653861233767683 (5.12429e-07% change) linmin: converged after 4 iterations. iteration 304: trace = 2.653861219665775 (5.31373e-07% change) linmin: converged after 3 iterations. iteration 305: trace = 2.653861215683956 (1.50039e-07% change) large trace change predicted (3.0434e-07%) linmin: converged after 2 iterations. iteration 306: trace = 2.653861207607175 (3.04341e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.653861197899738 (3.65785e-07% change) linmin: converged after 2 iterations. iteration 308: trace = 2.653861190448521 (2.80769e-07% change) linmin: converged after 8 iterations. iteration 309: trace = 2.653861187461313 (1.12561e-07% change) large trace change predicted (2.98624e-07%) linmin: converged after 3 iterations. iteration 310: trace = 2.653861179536262 (2.98623e-07% change) linmin: converged after 4 iterations. iteration 311: trace = 2.653861172094745 (2.80403e-07% change) linmin: converged after 3 iterations. iteration 312: trace = 2.653861168072964 (1.51545e-07% change) large trace change predicted (5.02168e-07%) linmin: converged after 4 iterations. iteration 313: trace = 2.653861154746177 (5.02166e-07% change) linmin: converged after 3 iterations. iteration 314: trace = 2.65386114693482 (2.94339e-07% change) linmin: converged after 3 iterations. iteration 315: trace = 2.653861137791723 (3.44521e-07% change) linmin: converged after 3 iterations. iteration 316: trace = 2.653861123104611 (5.53424e-07% change) linmin: converged after 3 iterations. iteration 317: trace = 2.653861118517841 (1.72834e-07% change) large trace change predicted (5.02732e-07%) linmin: converged after 3 iterations. iteration 318: trace = 2.653861105176128 (5.02728e-07% change) linmin: converged after 4 iterations. iteration 319: trace = 2.653861091174474 (5.27596e-07% change) linmin: converged after 4 iterations. iteration 320: trace = 2.653861087401802 (1.42158e-07% change) large trace change predicted (6.34564e-07%) linmin: converged after 2 iterations. iteration 321: trace = 2.653861070561292 (6.34566e-07% change) linmin: converged after 6 iterations. iteration 322: trace = 2.653861067578659 (1.12388e-07% change) large trace change predicted (2.25012e-07%) linmin: converged after 2 iterations. iteration 323: trace = 2.653861061607128 (2.25013e-07% change) linmin: converged after 4 iterations. iteration 324: trace = 2.653861056456257 (1.9409e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.653861054646301 (6.82009e-08% change) linmin: converged after 3 iterations. iteration 326: trace = 2.653861051928296 (1.02417e-07% change) linmin: converged after 2 iterations. iteration 327: trace = 2.653861048926894 (1.13096e-07% change) linmin: converged after 4 iterations. iteration 328: trace = 2.653861048371313 (2.09348e-08% change) large trace change predicted (6.026e-08%) linmin: converged after 6 iterations. iteration 329: trace = 2.653861046772094 (6.02601e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.65386104473053 (7.69281e-08% change) linmin: converged after 30 iterations. iteration 331: trace = 2.65386104429404 (1.64474e-08% change) large trace change predicted (7.84618e-08%) linmin: converged after 3 iterations. iteration 332: trace = 2.653861042211771 (7.84618e-08% change) linmin: converged after 29 iterations. iteration 333: trace = 2.653861041025828 (4.46875e-08% change) linmin: converged after 4 iterations. iteration 334: trace = 2.653861038874522 (8.10632e-08% change) linmin: converged after 2 iterations. iteration 335: trace = 2.653861036015782 (1.0772e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.653861034181704 (6.91098e-08% change) linmin: converged after 2 iterations. iteration 337: trace = 2.653861030612279 (1.34499e-07% change) linmin: converged after 4 iterations. iteration 338: trace = 2.653861026641596 (1.49619e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.65386102331979 (1.25169e-07% change) linmin: converged after 2 iterations. iteration 340: trace = 2.653861021731142 (5.98618e-08% change) large trace change predicted (1.40212e-07%) linmin: converged after 2 iterations. iteration 341: trace = 2.653861018010116 (1.40212e-07% change) linmin: converged after 20 iterations. iteration 342: trace = 2.653861015322062 (1.01288e-07% change) linmin: converged after 5 iterations. iteration 343: trace = 2.653861014657856 (2.50279e-08% change) large trace change predicted (1.06158e-07%) linmin: converged after 4 iterations. iteration 344: trace = 2.653861011840574 (1.06158e-07% change) linmin: converged after 4 iterations. iteration 345: trace = 2.653861011314461 (1.98245e-08% change) large trace change predicted (7.62103e-08%) linmin: converged after 4 iterations. iteration 346: trace = 2.653861009291959 (7.62098e-08% change) linmin: converged after 3 iterations. iteration 347: trace = 2.653861008256836 (3.90044e-08% change) linmin: converged after 3 iterations. iteration 348: trace = 2.653861007833982 (1.59335e-08% change) large trace change predicted (4.56016e-08%) linmin: converged after 3 iterations. iteration 349: trace = 2.653861006623782 (4.56015e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.653861005859471 (2.88e-08% change) linmin: converged after 4 iterations. iteration 351: trace = 2.653861005516765 (1.29135e-08% change) large trace change predicted (2.96157e-08%) linmin: converged after 18 iterations. iteration 352: trace = 2.653861004730805 (2.96157e-08% change) linmin: converged after 15 iterations. iteration 353: trace = 2.653861004038317 (2.60936e-08% change) linmin: converged after 10 iterations. iteration 354: trace = 2.653861003091442 (3.56791e-08% change) linmin: converged after 3 iterations. iteration 355: trace = 2.653861001603818 (5.60551e-08% change) linmin: converged after 4 iterations. iteration 356: trace = 2.653861001132619 (1.77552e-08% change) large trace change predicted (7.19148e-08%) linmin: converged after 4 iterations. iteration 357: trace = 2.653860999224099 (7.19148e-08% change) linmin: converged after 4 iterations. iteration 358: trace = 2.653860998084974 (4.29233e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.653860996836459 (4.70452e-08% change) linmin: converged after 23 iterations. iteration 360: trace = 2.653860994761402 (7.81901e-08% change) linmin: converged after 2 iterations. iteration 361: trace = 2.653860994220613 (2.03775e-08% change) large trace change predicted (7.67559e-08%) linmin: converged after 3 iterations. iteration 362: trace = 2.65386099218362 (7.67558e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.653860990284341 (7.15667e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860989832936 (1.70094e-08% change) large trace change predicted (5.24275e-08%) linmin: converged after 5 iterations. iteration 365: trace = 2.653860988441587 (5.24274e-08% change) linmin: converged after 20 iterations. iteration 366: trace = 2.653860987483066 (3.6118e-08% change) linmin: converged after 31 iterations. iteration 367: trace = 2.65386098722445 (9.74491e-09% change) large trace change predicted (3.21081e-08%) linmin: converged after 5 iterations. iteration 368: trace = 2.653860986372349 (3.21079e-08% change) linmin: converged after 7 iterations. iteration 369: trace = 2.653860985791076 (2.19029e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.653860985503783 (1.08255e-08% change) linmin: converged after 4 iterations. iteration 371: trace = 2.653860985045311 (1.72757e-08% change) linmin: converged after 4 iterations. iteration 372: trace = 2.653860984566202 (1.80533e-08% change) linmin: converged after 16 iterations. iteration 373: trace = 2.653860984296487 (1.01631e-08% change) large trace change predicted (3.61857e-08%) linmin: converged after 32 iterations. iteration 374: trace = 2.653860983336172 (3.61856e-08% change) linmin: converged after 4 iterations. iteration 375: trace = 2.653860982914641 (1.58837e-08% change) linmin: converged after 4 iterations. iteration 376: trace = 2.653860982094147 (3.0917e-08% change) linmin: converged after 4 iterations. iteration 377: trace = 2.653860980747253 (5.07522e-08% change) linmin: converged after 4 iterations. iteration 378: trace = 2.65386098036172 (1.45272e-08% change) large trace change predicted (8.74506e-08%) linmin: converged after 4 iterations. iteration 379: trace = 2.653860978040904 (8.74505e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.653860976323395 (6.47174e-08% change) linmin: converged after 2 iterations. iteration 381: trace = 2.65386097460841 (6.46223e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.653860974241192 (1.38371e-08% change) large trace change predicted (5.93708e-08%) linmin: converged after 3 iterations. iteration 383: trace = 2.653860972665567 (5.93711e-08% change) linmin: converged after 2 iterations. iteration 384: trace = 2.653860971250425 (5.33239e-08% change) linmin: converged after 3 iterations. iteration 385: trace = 2.653860970906263 (1.29683e-08% change) large trace change predicted (4.34358e-08%) linmin: converged after 3 iterations. iteration 386: trace = 2.653860969753536 (4.34359e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.653860969102609 (2.45275e-08% change) linmin: converged after 2 iterations. iteration 388: trace = 2.653860968923672 (6.74251e-09% change) large trace change predicted (1.77496e-08%) linmin: converged after 19 iterations. iteration 389: trace = 2.653860968452625 (1.77495e-08% change) linmin: converged after 29 iterations. iteration 390: trace = 2.653860968193538 (9.76266e-09% change) linmin: converged after 13 iterations. iteration 391: trace = 2.653860967900597 (1.10383e-08% change) linmin: converged after 24 iterations. iteration 392: trace = 2.653860967584826 (1.18985e-08% change) linmin: converged after 10 iterations. iteration 393: trace = 2.653860967474391 (4.1613e-09% change) large trace change predicted (1.14429e-08%) linmin: converged after 2 iterations. iteration 394: trace = 2.653860967170712 (1.14429e-08% change) linmin: converged after 22 iterations. iteration 395: trace = 2.65386096674435 (1.60657e-08% change) linmin: converged after 5 iterations. iteration 396: trace = 2.653860966574607 (6.39609e-09% change) large trace change predicted (2.2752e-08%) linmin: converged after 27 iterations. iteration 397: trace = 2.653860965970801 (2.2752e-08% change) linmin: converged after 3 iterations. iteration 398: trace = 2.653860965492778 (1.80124e-08% change) linmin: converged after 5 iterations. iteration 399: trace = 2.653860965194913 (1.12238e-08% change) large trace change predicted (2.27955e-08%) linmin: converged after 14 iterations. iteration 400: trace = 2.653860964589954 (2.27954e-08% change) linmin: converged after 22 iterations. iteration 401: trace = 2.6538609642346 (1.33901e-08% change) linmin: converged after 19 iterations. iteration 402: trace = 2.653860963883445 (1.32318e-08% change) linmin: converged after 3 iterations. iteration 403: trace = 2.653860963230252 (2.4613e-08% change) linmin: converged after 2 iterations. iteration 404: trace = 2.653860962988604 (9.10551e-09% change) linmin: converged after 3 iterations. iteration 405: trace = 2.653860962773552 (8.10338e-09% change) large trace change predicted (1.66135e-08%) linmin: converged after 13 iterations. iteration 406: trace = 2.653860962332657 (1.66134e-08% change) linmin: converged after 15 iterations. iteration 407: trace = 2.653860962259255 (2.76583e-09% change) large trace change predicted (9.903e-09%) linmin: converged after 18 iterations. iteration 408: trace = 2.653860961996444 (9.90297e-09% change) linmin: converged after 2 iterations. iteration 409: trace = 2.653860961800441 (7.38559e-09% change) linmin: converged after 2 iterations. iteration 410: trace = 2.653860961766056 (1.29564e-09% change) large trace change predicted (4.25866e-09%) linmin: converged after 3 iterations. iteration 411: trace = 2.653860961653039 (4.25861e-09% change) linmin: converged after 4 iterations. iteration 412: trace = 2.653860961575749 (2.91237e-09% change) linmin: converged after 6 iterations. iteration 413: trace = 2.653860961548603 (1.02286e-09% change) large trace change predicted (3.53412e-09%) linmin: converged after 16 iterations. iteration 414: trace = 2.65386096145481 (3.53421e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961360198 (3.56507e-09% change) linmin: converged after 3 iterations. iteration 416: trace = 2.653860961272898 (3.28954e-09% change) linmin: converged after 12 iterations. iteration 417: trace = 2.653860961246521 (9.93932e-10% change) large trace change predicted (7.3115e-09%) linmin: converged after 4 iterations. iteration 418: trace = 2.653860961052483 (7.31152e-09% change) linmin: converged after 27 iterations. iteration 419: trace = 2.653860960940563 (4.21728e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.653860960841758 (3.72303e-09% change) linmin: converged after 3 iterations. iteration 421: trace = 2.653860960693483 (5.58715e-09% change) linmin: converged after 7 iterations. iteration 422: trace = 2.653860960671139 (8.4194e-10% change) large trace change predicted (2.93034e-09%) linmin: converged after 9 iterations. iteration 423: trace = 2.653860960593372 (2.93034e-09% change) linmin: converged after 2 iterations. iteration 424: trace = 2.65386096053345 (2.25791e-09% change) linmin: converged after 3 iterations. iteration 425: trace = 2.653860960511142 (8.40601e-10% change) large trace change predicted (2.9598e-09%) linmin: converged after 16 iterations. iteration 426: trace = 2.65386096043259 (2.95992e-09% change) linmin: converged after 15 iterations. iteration 427: trace = 2.653860960366909 (2.4749e-09% change) linmin: converged after 16 iterations. iteration 428: trace = 2.653860960344388 (8.48633e-10% change) large trace change predicted (2.79087e-09%) linmin: converged after 7 iterations. iteration 429: trace = 2.653860960270322 (2.79088e-09% change) linmin: converged after 4 iterations. iteration 430: trace = 2.653860960166533 (3.91087e-09% change) linmin: converged after 2 iterations. iteration 431: trace = 2.653860960128488 (1.43356e-09% change) large trace change predicted (5.46799e-09%) linmin: converged after 4 iterations. iteration 432: trace = 2.653860959983373 (5.46807e-09% change) linmin: converged after 3 iterations. iteration 433: trace = 2.653860959825952 (5.93178e-09% change) linmin: converged after 3 iterations. iteration 434: trace = 2.653860959773215 (1.98718e-09% change) large trace change predicted (6.61971e-09%) linmin: converged after 12 iterations. iteration 435: trace = 2.653860959597537 (6.6197e-09% change) linmin: converged after 3 iterations. iteration 436: trace = 2.653860959478486 (4.48597e-09% change) linmin: converged after 16 iterations. iteration 437: trace = 2.653860959374542 (3.91669e-09% change) linmin: converged after 3 iterations. iteration 438: trace = 2.65386095916712 (7.81588e-09% change) linmin: converged after 3 iterations. iteration 439: trace = 2.653860959112839 (2.04534e-09% change) large trace change predicted (6.68636e-09%) linmin: converged after 4 iterations. iteration 440: trace = 2.653860958935392 (6.68639e-09% change) linmin: converged after 12 iterations. iteration 441: trace = 2.653860958793814 (5.3348e-09% change) linmin: converged after 19 iterations. iteration 442: trace = 2.653860958740959 (1.99163e-09% change) large trace change predicted (4.23072e-09%) linmin: converged after 15 iterations. iteration 443: trace = 2.653860958628684 (4.23061e-09% change) linmin: converged after 19 iterations. iteration 444: trace = 2.653860958557787 (2.67145e-09% change) linmin: converged after 13 iterations. iteration 445: trace = 2.653860958512911 (1.69097e-09% change) linmin: converged after 18 iterations. iteration 446: trace = 2.653860958446564 (2.50003e-09% change) linmin: converged after 14 iterations. iteration 447: trace = 2.653860958401735 (1.68918e-09% change) linmin: converged after 3 iterations. iteration 448: trace = 2.6538609583849 (6.34358e-10% change) large trace change predicted (2.59753e-09%) linmin: converged after 10 iterations. iteration 449: trace = 2.653860958315964 (2.59757e-09% change) linmin: converged after 12 iterations. iteration 450: trace = 2.653860958254005 (2.33469e-09% change) linmin: converged after 3 iterations. iteration 451: trace = 2.653860958192452 (2.31936e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958173304 (7.21541e-10% change) large trace change predicted (4.02148e-09%) linmin: converged after 10 iterations. iteration 453: trace = 2.653860958066579 (4.02149e-09% change) linmin: converged after 5 iterations. iteration 454: trace = 2.653860957996938 (2.62415e-09% change) linmin: converged after 19 iterations. iteration 455: trace = 2.653860957947545 (1.86116e-09% change) large trace change predicted (4.09029e-09%) linmin: converged after 12 iterations. iteration 456: trace = 2.653860957838996 (4.09024e-09% change) linmin: converged after 2 iterations. iteration 457: trace = 2.653860957814056 (9.39765e-10% change) large trace change predicted (3.4853e-09%) linmin: converged after 7 iterations. iteration 458: trace = 2.65386095772156 (3.48533e-09% change) linmin: converged after 10 iterations. iteration 459: trace = 2.653860957642543 (2.97744e-09% change) linmin: converged after 5 iterations. iteration 460: trace = 2.653860957615583 (1.01589e-09% change) large trace change predicted (3.40535e-09%) linmin: converged after 3 iterations. iteration 461: trace = 2.653860957525209 (3.40536e-09% change) linmin: converged after 4 iterations. iteration 462: trace = 2.653860957468691 (2.12965e-09% change) linmin: converged after 2 iterations. iteration 463: trace = 2.653860957453861 (5.58805e-10% change) linmin: converged after 4 iterations. iteration 464: trace = 2.653860957424913 (1.09079e-09% change) linmin: converged after 12 iterations. iteration 465: trace = 2.653860957395262 (1.11731e-09% change) linmin: converged after 7 iterations. iteration 466: trace = 2.653860957389421 (2.20098e-10% change) large trace change predicted (8.06159e-10%) linmin: converged after 15 iterations. iteration 467: trace = 2.653860957368031 (8.05979e-10% change) linmin: converged after 2 iterations. iteration 468: trace = 2.653860957356215 (4.45234e-10% change) linmin: converged after 15 iterations. iteration 469: trace = 2.65386095735057 (2.12702e-10% change) large trace change predicted (5.35836e-10%) linmin: converged after 3 iterations. iteration 470: trace = 2.65386095733635 (5.35847e-10% change) linmin: converged after 3 iterations. iteration 471: trace = 2.653860957323928 (4.68042e-10% change) linmin: converged after 7 iterations. iteration 472: trace = 2.65386095731733 (2.48646e-10% change) large trace change predicted (6.96125e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957298859 (6.95988e-10% change) linmin: converged after 13 iterations. iteration 474: trace = 2.653860957292786 (2.2885e-10% change) large trace change predicted (6.20648e-10%) linmin: converged after 7 iterations. iteration 475: trace = 2.653860957276313 (6.20703e-10% change) linmin: converged after 6 iterations. iteration 476: trace = 2.653860957248332 (1.05437e-09% change) linmin: converged after 4 iterations. iteration 477: trace = 2.653860957241676 (2.50805e-10% change) large trace change predicted (1.03122e-09%) linmin: converged after 12 iterations. iteration 478: trace = 2.653860957214309 (1.03121e-09% change) linmin: converged after 9 iterations. iteration 479: trace = 2.653860957184099 (1.13833e-09% change) linmin: converged after 12 iterations. iteration 480: trace = 2.653860957161679 (8.44818e-10% change) linmin: converged after 13 iterations. iteration 481: trace = 2.653860957151033 (4.0114e-10% change) large trace change predicted (9.3321e-10%) linmin: converged after 9 iterations. iteration 482: trace = 2.653860957126268 (9.33155e-10% change) linmin: converged after 12 iterations. iteration 483: trace = 2.653860957101248 (9.42777e-10% change) linmin: converged after 10 iterations. iteration 484: trace = 2.653860957097225 (1.51607e-10% change) large trace change predicted (7.09632e-10%) linmin: converged after 4 iterations. iteration 485: trace = 2.653860957078396 (7.09492e-10% change) linmin: converged after 3 iterations. iteration 486: trace = 2.653860957071868 (2.45985e-10% change) linmin: converged after 6 iterations. iteration 487: trace = 2.653860957068215 (1.37651e-10% change) large trace change predicted (3.184e-10%) linmin: converged after 2 iterations. iteration 488: trace = 2.653860957059764 (3.18426e-10% change) linmin: converged after 7 iterations. iteration 489: trace = 2.65386095705674 (1.13973e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.653860957053989 (1.03649e-10% change) large trace change predicted (2.37798e-10%) linmin: converged after 6 iterations. iteration 491: trace = 2.653860957047676 (2.37886e-10% change) linmin: converged after 3 iterations. iteration 492: trace = 2.653860957044917 (1.0395e-10% change) linmin: converged after 7 iterations. iteration 493: trace = 2.653860957040127 (1.80506e-10% change) large trace change predicted (4.26443e-10%) linmin: converged after 12 iterations. iteration 494: trace = 2.653860957028808 (4.26509e-10% change) linmin: converged after 3 iterations. iteration 495: trace = 2.653860957026237 (9.68714e-11% change) Finished solving for bands 1 to 10 after 495 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 12.340394496917725 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.767192033426647 (3.67886% change) linmin: converged after 6 iterations. iteration 2: trace = 2.669057416442166 (3.61038% change) linmin: converged after 5 iterations. iteration 3: trace = 2.603626012305456 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.58939757657821 (0.547983% change) linmin: converged after 5 iterations. iteration 5: trace = 2.564425821436629 (0.969057% change) linmin: converged after 4 iterations. iteration 6: trace = 2.562271029335775 (0.0840616% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519491018549 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381191500141 (0.16194% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758182158542 (0.0635834% change) linmin: converged after 4 iterations. iteration 10: trace = 2.54867616708342 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042247384798 (0.0641291% change) linmin: converged after 4 iterations. iteration 12: trace = 2.545109427151627 (0.0759137% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744883663185 (0.0536287% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493582083599 (0.00987969% change) large trace change predicted (0.0326853%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654868639834 (0.0329803% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233434248981 (0.016576% change) linmin: converged after 3 iterations. iteration 17: trace = 2.541989485484639 (0.0095963% change) large trace change predicted (0.0296922%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222868602139 (0.0301627% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916728488961 (0.0120477% change) linmin: converged after 3 iterations. iteration 20: trace = 2.540420103086075 (0.019547% change) linmin: converged after 4 iterations. iteration 21: trace = 2.540069600179332 (0.013798% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913126875313 (0.00616039% change) large trace change predicted (0.0132663%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574186924329 (0.0133454% change) linmin: converged after 3 iterations. iteration 24: trace = 2.539320080921201 (0.0100064% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190092160381 (0.00511917% change) large trace change predicted (0.0109151%) linmin: converged after 4 iterations. iteration 26: trace = 2.538912038084394 (0.0109511% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826486878402 (0.00336966% change) large trace change predicted (0.00728278%) linmin: converged after 3 iterations. iteration 28: trace = 2.53864085369404 (0.00731204% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538416041422575 (0.00885601% change) linmin: converged after 5 iterations. iteration 30: trace = 2.5383296122171 (0.00340491% change) large trace change predicted (0.0126403%) linmin: converged after 3 iterations. iteration 31: trace = 2.538007584590201 (0.0126874% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917178170119 (0.00356217% change) large trace change predicted (0.0118581%) linmin: converged after 3 iterations. iteration 33: trace = 2.537615456132547 (0.0118893% change) linmin: converged after 11 iterations. iteration 34: trace = 2.537446568915428 (0.00665557% change) linmin: converged after 4 iterations. iteration 35: trace = 2.537337434950749 (0.00430103% change) large trace change predicted (0.0106118%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067976730923 (0.0106203% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999388036427 (0.0027035% change) large trace change predicted (0.0111006%) linmin: converged after 3 iterations. iteration 38: trace = 2.536717354003607 (0.0111175% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633693279849 (0.00329805% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477792450703 (0.00614616% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329165615136 (0.00585975% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150178155691 (0.0070572% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989210418732 (0.00634713% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865687102291 (0.00487093% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703167839485 (0.00640903% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652204233133 (0.00200986% change) large trace change predicted (0.00754011%) linmin: converged after 3 iterations. iteration 47: trace = 2.535461059963877 (0.00753855% change) linmin: converged after 7 iterations. iteration 48: trace = 2.535421721799976 (0.00155153% change) large trace change predicted (0.00506141%) linmin: converged after 6 iterations. iteration 49: trace = 2.535293451934355 (0.00505924% change) linmin: converged after 3 iterations. iteration 50: trace = 2.535212779562738 (0.00318202% change) linmin: converged after 4 iterations. iteration 51: trace = 2.535125048505813 (0.00346056% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950853550122 (0.00687149% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873094294598 (0.00306753% change) large trace change predicted (0.00863863%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655239403859 (0.00859468% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598349201926 (0.00224452% change) large trace change predicted (0.00574899%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453135361642 (0.00572943% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390083526244 (0.00248782% change) linmin: converged after 4 iterations. iteration 58: trace = 2.53433075197254 (0.00234109% change) linmin: converged after 4 iterations. iteration 59: trace = 2.534233947115474 (0.00381981% change) linmin: converged after 10 iterations. iteration 60: trace = 2.534207672896776 (0.00103678% change) large trace change predicted (0.00309772%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129212982263 (0.00309608% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095652869417 (0.00132433% change) large trace change predicted (0.00285484%) linmin: converged after 3 iterations. iteration 63: trace = 2.534023373499571 (0.00285232% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533957960262362 (0.00258143% change) linmin: converged after 5 iterations. iteration 65: trace = 2.533883383297376 (0.00294315% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772566839447 (0.00437348% change) linmin: converged after 4 iterations. iteration 67: trace = 2.53373065397368 (0.00165418% change) linmin: converged after 6 iterations. iteration 68: trace = 2.53365914006981 (0.00282251% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617339080551 (0.00164984% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.533588473030465 (0.00113933% change) linmin: converged after 3 iterations. iteration 71: trace = 2.533564620974375 (0.000941438% change) linmin: converged after 4 iterations. iteration 72: trace = 2.53353958174371 (0.000988305% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522860224648 (0.000660008% change) large trace change predicted (0.00183874%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476194510089 (0.00184195% change) linmin: converged after 3 iterations. iteration 75: trace = 2.533464120754488 (0.00047657% change) large trace change predicted (0.0027526%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394139757186 (0.0027623% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360160658472 (0.00134126% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332215747401 (0.00110308% change) large trace change predicted (0.00246263%) linmin: converged after 6 iterations. iteration 79: trace = 2.533269551858892 (0.00247361% change) linmin: converged after 4 iterations. iteration 80: trace = 2.533217585965936 (0.00205136% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191318657901 (0.00103692% change) large trace change predicted (0.00237284%) linmin: converged after 3 iterations. iteration 82: trace = 2.533130960561036 (0.00238272% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112969458271 (0.000710234% change) linmin: converged after 3 iterations. iteration 84: trace = 2.533088839493444 (0.000952586% change) linmin: converged after 5 iterations. iteration 85: trace = 2.533060161434662 (0.00113214% change) linmin: converged after 3 iterations. iteration 86: trace = 2.53305229041495 (0.000310732% change) large trace change predicted (0.000754277%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033173804276 (0.00075469% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014341196671 (0.000743483% change) linmin: converged after 4 iterations. iteration 89: trace = 2.533001367262674 (0.000512195% change) linmin: converged after 3 iterations. iteration 90: trace = 2.532976207320057 (0.000993291% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972356527495 (0.000152027% change) large trace change predicted (0.000749729%) linmin: converged after 10 iterations. iteration 92: trace = 2.532953379933391 (0.000749186% change) linmin: converged after 6 iterations. iteration 93: trace = 2.532934921792815 (0.000728723% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926891824492 (0.000317023% change) large trace change predicted (0.0017825%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881922180859 (0.00177542% change) linmin: converged after 5 iterations. iteration 96: trace = 2.532858272963264 (0.000933692% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819789583032 (0.00151938% change) linmin: converged after 3 iterations. iteration 98: trace = 2.532786094792097 (0.00133034% change) linmin: converged after 4 iterations. iteration 99: trace = 2.532774270267902 (0.000466859% change) large trace change predicted (0.00101639%) linmin: converged after 10 iterations. iteration 100: trace = 2.532748572330513 (0.00101462% change) linmin: converged after 12 iterations. iteration 101: trace = 2.532735567621214 (0.000513464% change) linmin: converged after 4 iterations. iteration 102: trace = 2.532725941244879 (0.000380079% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712926354705 (0.00051387% change) linmin: converged after 4 iterations. iteration 104: trace = 2.53270452953196 (0.000331535% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697415145946 (0.000280901% change) large trace change predicted (0.000634744%) linmin: converged after 4 iterations. iteration 106: trace = 2.53268134651698 (0.000634449% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678239858953 (0.000122663% change) large trace change predicted (0.000365819%) linmin: converged after 5 iterations. iteration 108: trace = 2.53266897661596 (0.00036575% change) linmin: converged after 4 iterations. iteration 109: trace = 2.532662554211164 (0.000253583% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659587173055 (0.000117151% change) large trace change predicted (0.000484669%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647308311957 (0.000484822% change) linmin: converged after 4 iterations. iteration 112: trace = 2.532642969876493 (0.000171301% change) large trace change predicted (0.00118954%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612824974158 (0.00119026% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592045938208 (0.000820462% change) linmin: converged after 4 iterations. iteration 115: trace = 2.532581444875984 (0.000418586% change) large trace change predicted (0.00102424%) linmin: converged after 4 iterations. iteration 116: trace = 2.532555475013515 (0.00102544% change) linmin: converged after 3 iterations. iteration 117: trace = 2.5325350534708 (0.000806364% change) linmin: converged after 5 iterations. iteration 118: trace = 2.532524450486105 (0.000418672% change) large trace change predicted (0.000840085%) linmin: converged after 3 iterations. iteration 119: trace = 2.53250317103154 (0.00084025% change) linmin: converged after 4 iterations. iteration 120: trace = 2.53249935715672 (0.000150597% change) large trace change predicted (0.00042878%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488496188996 (0.000428865% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482090964975 (0.000252922% change) linmin: converged after 8 iterations. iteration 123: trace = 2.532479984411505 (8.31814e-05% change) large trace change predicted (0.000284068%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472786790319 (0.000284213% change) linmin: converged after 4 iterations. iteration 125: trace = 2.532467437864414 (0.000211214% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465632597291 (7.12849e-05% change) large trace change predicted (0.000445998%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454320324156 (0.000446691% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532451998479043 (9.16836e-05% change) large trace change predicted (0.000318429%) linmin: converged after 4 iterations. iteration 129: trace = 2.532443927631433 (0.000318697% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532433913976735 (0.000395415% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431344630058 (0.000101458% change) large trace change predicted (0.000494367%) linmin: converged after 8 iterations. iteration 132: trace = 2.532418811422578 (0.000494909% change) linmin: converged after 4 iterations. iteration 133: trace = 2.532412946504177 (0.000231594% change) large trace change predicted (0.000468084%) linmin: converged after 3 iterations. iteration 134: trace = 2.532401088764395 (0.00046824% change) linmin: converged after 3 iterations. iteration 135: trace = 2.532386084431943 (0.000592496% change) linmin: converged after 3 iterations. iteration 136: trace = 2.532381513637498 (0.000180494% change) linmin: converged after 3 iterations. iteration 137: trace = 2.532372861942961 (0.000341643% change) linmin: converged after 5 iterations. iteration 138: trace = 2.532367979000079 (0.000192821% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366681454554 (5.12384e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.532365672720033 (3.98337e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.53236383087743 (7.27321e-05% change) linmin: converged after 14 iterations. iteration 142: trace = 2.532360994886657 (0.00011199% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359794057031 (4.74194e-05% change) large trace change predicted (0.000180285%) linmin: converged after 4 iterations. iteration 144: trace = 2.532355229018597 (0.000180268% change) linmin: converged after 4 iterations. iteration 145: trace = 2.532352148875903 (0.000121632% change) linmin: converged after 3 iterations. iteration 146: trace = 2.532349361572594 (0.000110068% change) large trace change predicted (0.000234294%) linmin: converged after 5 iterations. iteration 147: trace = 2.532343430142023 (0.000234227% change) linmin: converged after 4 iterations. iteration 148: trace = 2.532342054130938 (5.43375e-05% change) large trace change predicted (0.000202022%) linmin: converged after 5 iterations. iteration 149: trace = 2.532336939477057 (0.000201973% change) linmin: converged after 4 iterations. iteration 150: trace = 2.532333341447489 (0.000142083% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332040211069 (5.13849e-05% change) large trace change predicted (0.000151004%) linmin: converged after 4 iterations. iteration 152: trace = 2.532328218713546 (0.000150908% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325466249144 (0.000108693% change) linmin: converged after 3 iterations. iteration 154: trace = 2.532323591310855 (7.40402e-05% change) linmin: converged after 13 iterations. iteration 155: trace = 2.532320451114191 (0.000124005% change) linmin: converged after 4 iterations. iteration 156: trace = 2.532319673745922 (3.06979e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.532318502895264 (4.62363e-05% change) linmin: converged after 3 iterations. iteration 158: trace = 2.5323169624572 (6.08312e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 2.532316652158856 (1.22535e-05% change) large trace change predicted (5.63356e-05%) linmin: converged after 3 iterations. iteration 160: trace = 2.532315225512445 (5.63376e-05% change) linmin: converged after 4 iterations. iteration 161: trace = 2.532314342090046 (3.4886e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313514640439 (3.26756e-05% change) large trace change predicted (8.5569e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311347836016 (8.55662e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.532309485542597 (7.35413e-05% change) linmin: converged after 2 iterations. iteration 165: trace = 2.53230840376778 (4.27189e-05% change) large trace change predicted (0.000169499%) linmin: converged after 5 iterations. iteration 166: trace = 2.532304110998314 (0.00016952% change) linmin: converged after 3 iterations. iteration 167: trace = 2.532303008981825 (4.35183e-05% change) large trace change predicted (0.000111778%) linmin: converged after 5 iterations. iteration 168: trace = 2.532300178048976 (0.000111793% change) linmin: converged after 4 iterations. iteration 169: trace = 2.532297971046311 (8.71541e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297193961125 (3.0687e-05% change) large trace change predicted (6.63255e-05%) linmin: converged after 4 iterations. iteration 171: trace = 2.532295514603942 (6.63176e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.532293829310507 (6.6552e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.532292340586914 (5.87895e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.532290201797465 (8.44606e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289881902088 (1.26327e-05% change) large trace change predicted (5.84125e-05%) linmin: converged after 4 iterations. iteration 176: trace = 2.532288402651647 (5.84155e-05% change) linmin: converged after 3 iterations. iteration 177: trace = 2.532287700505692 (2.77277e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.532287399091498 (1.19028e-05% change) large trace change predicted (4.24407e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286324278978 (4.24443e-05% change) linmin: converged after 4 iterations. iteration 180: trace = 2.53228543709077 (3.50351e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.532284513601626 (3.64686e-05% change) large trace change predicted (0.000113353%) linmin: converged after 4 iterations. iteration 182: trace = 2.532281640200715 (0.000113471% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280837315337 (3.1706e-05% change) large trace change predicted (0.000119779%) linmin: converged after 3 iterations. iteration 184: trace = 2.532277799852118 (0.00011995% change) linmin: converged after 5 iterations. iteration 185: trace = 2.532275075736722 (0.000107576% change) linmin: converged after 4 iterations. iteration 186: trace = 2.532274124955099 (3.75465e-05% change) large trace change predicted (0.000101744%) linmin: converged after 3 iterations. iteration 187: trace = 2.5322715455922 (0.00010186% change) linmin: converged after 5 iterations. iteration 188: trace = 2.532270015686988 (6.04163e-05% change) linmin: converged after 4 iterations. iteration 189: trace = 2.532268230616337 (7.04929e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.532265429032429 (0.000110635% change) linmin: converged after 3 iterations. iteration 191: trace = 2.532264945124025 (1.91097e-05% change) large trace change predicted (5.98467e-05%) linmin: converged after 4 iterations. iteration 192: trace = 2.532263429629264 (5.98474e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262605869026 (3.25306e-05% change) linmin: converged after 4 iterations. iteration 194: trace = 2.53226213719251 (1.85082e-05% change) large trace change predicted (4.74074e-05%) linmin: converged after 3 iterations. iteration 195: trace = 2.532260936913314 (4.73995e-05% change) linmin: converged after 5 iterations. iteration 196: trace = 2.532260526439085 (1.62098e-05% change) large trace change predicted (5.6564e-05%) linmin: converged after 7 iterations. iteration 197: trace = 2.532259094364337 (5.65532e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.532257807590727 (5.08153e-05% change) linmin: converged after 5 iterations. iteration 199: trace = 2.532257352928344 (1.79548e-05% change) large trace change predicted (5.04939e-05%) linmin: converged after 3 iterations. iteration 200: trace = 2.532256074868201 (5.04712e-05% change) linmin: converged after 6 iterations. iteration 201: trace = 2.532254830597622 (4.91369e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.532254059117327 (3.04661e-05% change) large trace change predicted (7.93648e-05%) linmin: converged after 6 iterations. iteration 203: trace = 2.532252051326748 (7.92887e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.532251241221599 (3.19915e-05% change) large trace change predicted (8.79547e-05%) linmin: converged after 8 iterations. iteration 205: trace = 2.532249016195121 (8.78676e-05% change) linmin: converged after 4 iterations. iteration 206: trace = 2.532247649945292 (5.3954e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.532247124294482 (2.07583e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.532246407623886 (2.83018e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.532245668041215 (2.92066e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.53224534850977 (1.26185e-05% change) linmin: converged after 3 iterations. iteration 211: trace = 2.53224490610806 (1.74707e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.532244700741921 (8.11004e-06% change) large trace change predicted (1.91329e-05%) linmin: converged after 4 iterations. iteration 213: trace = 2.532244216138531 (1.91373e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 2.532243534569498 (2.69156e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243335340179 (7.8677e-06% change) large trace change predicted (3.44634e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242462426499 (3.4472e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.532242103686435 (1.41669e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.532241557230378 (2.15799e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.53224088052439 (2.67236e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.532240603020853 (1.09588e-05% change) large trace change predicted (2.86878e-05%) linmin: converged after 3 iterations. iteration 221: trace = 2.532239876200603 (2.87027e-05% change) linmin: converged after 3 iterations. iteration 222: trace = 2.53223916197783 (2.82052e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.53223893811697 (8.84043e-06% change) large trace change predicted (2.63781e-05%) linmin: converged after 3 iterations. iteration 224: trace = 2.532238269948365 (2.63865e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.532237952620483 (1.25315e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.532237647576937 (1.20464e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 2.532237341436606 (1.20897e-05% change) linmin: converged after 8 iterations. iteration 228: trace = 2.532237110735568 (9.11056e-06% change) linmin: converged after 16 iterations. iteration 229: trace = 2.532236987336034 (4.87314e-06% change) large trace change predicted (1.44629e-05%) linmin: converged after 5 iterations. iteration 230: trace = 2.532236621109994 (1.44626e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.532236555353198 (2.59679e-06% change) large trace change predicted (1.48445e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236179526719 (1.48417e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.532235964355614 (8.49728e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.532235768418855 (7.7377e-06% change) large trace change predicted (2.0028e-05%) linmin: converged after 4 iterations. iteration 235: trace = 2.532235261584256 (2.00153e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.532234682591997 (2.28649e-05% change) linmin: converged after 14 iterations. iteration 237: trace = 2.53223453199471 (5.94721e-06% change) large trace change predicted (1.71064e-05%) linmin: converged after 9 iterations. iteration 238: trace = 2.532234099003916 (1.70992e-05% change) linmin: converged after 6 iterations. iteration 239: trace = 2.532233898825823 (7.9052e-06% change) linmin: converged after 5 iterations. iteration 240: trace = 2.532233786259587 (4.44533e-06% change) linmin: converged after 5 iterations. iteration 241: trace = 2.532233582900018 (8.03084e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.532233465858784 (4.62206e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.532233356981114 (4.29967e-06% change) large trace change predicted (8.8712e-06%) linmin: converged after 11 iterations. iteration 244: trace = 2.532233132371641 (8.87002e-06% change) linmin: converged after 13 iterations. iteration 245: trace = 2.5322331027359 (1.17034e-06% change) large trace change predicted (6.47708e-06%) linmin: converged after 13 iterations. iteration 246: trace = 2.532232938741696 (6.47627e-06% change) linmin: converged after 4 iterations. iteration 247: trace = 2.532232891962138 (1.84736e-06% change) linmin: converged after 6 iterations. iteration 248: trace = 2.532232799084282 (3.66782e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.532232695945902 (4.07302e-06% change) linmin: converged after 4 iterations. iteration 250: trace = 2.532232650826826 (1.78179e-06% change) large trace change predicted (7.08228e-06%) linmin: converged after 9 iterations. iteration 251: trace = 2.532232471483836 (7.08241e-06% change) linmin: converged after 9 iterations. iteration 252: trace = 2.532232227040498 (9.65327e-06% change) linmin: converged after 8 iterations. iteration 253: trace = 2.53223209644723 (5.15724e-06% change) large trace change predicted (1.32148e-05%) linmin: converged after 10 iterations. iteration 254: trace = 2.532231761840456 (1.32139e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.532231545291046 (8.55172e-06% change) linmin: converged after 28 iterations. iteration 256: trace = 2.532231478439784 (2.64001e-06% change) large trace change predicted (5.94378e-06%) linmin: converged after 6 iterations. iteration 257: trace = 2.532231327923021 (5.94404e-06% change) linmin: converged after 4 iterations. iteration 258: trace = 2.532231217487491 (4.36119e-06% change) linmin: converged after 7 iterations. iteration 259: trace = 2.532231181874887 (1.40637e-06% change) large trace change predicted (4.56841e-06%) linmin: converged after 20 iterations. iteration 260: trace = 2.532231066189194 (4.56853e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.532231005437414 (2.39914e-06% change) linmin: converged after 8 iterations. iteration 262: trace = 2.532230966721434 (1.52893e-06% change) large trace change predicted (3.2827e-06%) linmin: converged after 4 iterations. iteration 263: trace = 2.532230883588497 (3.28299e-06% change) linmin: converged after 20 iterations. iteration 264: trace = 2.532230846520678 (1.46384e-06% change) linmin: converged after 8 iterations. iteration 265: trace = 2.532230782590447 (2.52466e-06% change) large trace change predicted (5.96563e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230631512669 (5.96619e-06% change) linmin: converged after 6 iterations. iteration 267: trace = 2.532230599655126 (1.25808e-06% change) large trace change predicted (6.64604e-06%) linmin: converged after 5 iterations. iteration 268: trace = 2.532230431347481 (6.64662e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 2.532230324652109 (4.21349e-06% change) linmin: converged after 9 iterations. iteration 270: trace = 2.532230285562964 (1.54366e-06% change) large trace change predicted (6.57813e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.532230118967087 (6.57902e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 2.532229961616972 (6.21389e-06% change) linmin: converged after 2 iterations. iteration 273: trace = 2.532229884145944 (3.0594e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229738526625 (5.75064e-06% change) linmin: converged after 12 iterations. iteration 275: trace = 2.532229691776105 (1.84622e-06% change) linmin: converged after 2 iterations. iteration 276: trace = 2.532229606263876 (3.37695e-06% change) linmin: converged after 16 iterations. iteration 277: trace = 2.53222955697802 (1.94634e-06% change) linmin: converged after 4 iterations. iteration 278: trace = 2.532229533699859 (9.19275e-07% change) large trace change predicted (4.25885e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.532229425857427 (4.25879e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.532229371544152 (2.14488e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.532229353787442 (7.01228e-07% change) large trace change predicted (1.77062e-06%) linmin: converged after 4 iterations. iteration 282: trace = 2.53222930895133 (1.77062e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.532229262227975 (1.84515e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.532229233610731 (1.13012e-06% change) large trace change predicted (3.11102e-06%) linmin: converged after 7 iterations. iteration 285: trace = 2.53222915483345 (3.11099e-06% change) linmin: converged after 14 iterations. iteration 286: trace = 2.532229127502111 (1.07934e-06% change) large trace change predicted (4.19042e-06%) linmin: converged after 4 iterations. iteration 287: trace = 2.532229021397783 (4.19016e-06% change) linmin: converged after 4 iterations. iteration 288: trace = 2.532228926614434 (3.74308e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.532228897270448 (1.15882e-06% change) large trace change predicted (2.79439e-06%) linmin: converged after 5 iterations. iteration 290: trace = 2.532228826511277 (2.79434e-06% change) linmin: converged after 5 iterations. iteration 291: trace = 2.532228760111837 (2.62217e-06% change) linmin: converged after 10 iterations. iteration 292: trace = 2.532228738107841 (8.68958e-07% change) large trace change predicted (3.02103e-06%) linmin: converged after 4 iterations. iteration 293: trace = 2.532228661615026 (3.02077e-06% change) linmin: converged after 11 iterations. iteration 294: trace = 2.532228641059393 (8.11761e-07% change) large trace change predicted (1.87429e-06%) linmin: converged after 5 iterations. iteration 295: trace = 2.532228593601442 (1.87416e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.532228565259552 (1.11925e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.532228555878574 (3.70463e-07% change) large trace change predicted (9.67458e-07%) linmin: converged after 4 iterations. iteration 298: trace = 2.53222853138094 (9.67434e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.532228494043713 (1.47448e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.53222848518006 (3.50034e-07% change) large trace change predicted (1.53182e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.532228446391337 (1.5318e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.532228417756221 (1.13083e-06% change) linmin: converged after 5 iterations. iteration 303: trace = 2.532228376036577 (1.64755e-06% change) linmin: converged after 13 iterations. iteration 304: trace = 2.532228316804893 (2.33911e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.532228291244519 (1.0094e-06% change) large trace change predicted (2.36544e-06%) linmin: converged after 5 iterations. iteration 306: trace = 2.532228231346853 (2.36541e-06% change) linmin: converged after 5 iterations. iteration 307: trace = 2.532228155412872 (2.9987e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.532228098810311 (2.23529e-06% change) linmin: converged after 2 iterations. iteration 309: trace = 2.532228090499342 (3.28208e-07% change) large trace change predicted (1.14673e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.532228061461752 (1.14672e-06% change) linmin: converged after 4 iterations. iteration 311: trace = 2.532228043633188 (7.04066e-07% change) linmin: converged after 5 iterations. iteration 312: trace = 2.532228031322952 (4.86142e-07% change) large trace change predicted (1.30896e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.532227998176761 (1.30897e-06% change) linmin: converged after 4 iterations. iteration 314: trace = 2.532227990917331 (2.86682e-07% change) large trace change predicted (1.94061e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.532227941774143 (1.94071e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.532227908038662 (1.33225e-06% change) linmin: converged after 7 iterations. iteration 317: trace = 2.532227890962591 (6.7435e-07% change) large trace change predicted (1.82659e-06%) linmin: converged after 7 iterations. iteration 318: trace = 2.532227844703606 (1.82681e-06% change) linmin: converged after 26 iterations. iteration 319: trace = 2.532227800107955 (1.76112e-06% change) linmin: converged after 6 iterations. iteration 320: trace = 2.532227786339925 (5.43712e-07% change) large trace change predicted (2.18218e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.532227731074527 (2.18248e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.532227700051103 (1.22514e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.532227656231945 (1.73046e-06% change) linmin: converged after 12 iterations. iteration 324: trace = 2.532227600471217 (2.20204e-06% change) linmin: converged after 6 iterations. iteration 325: trace = 2.532227576637795 (9.41204e-07% change) linmin: converged after 6 iterations. iteration 326: trace = 2.532227558290939 (7.24534e-07% change) large trace change predicted (1.50968e-06%) linmin: converged after 12 iterations. iteration 327: trace = 2.532227520060504 (1.50976e-06% change) linmin: converged after 18 iterations. iteration 328: trace = 2.532227511160837 (3.51456e-07% change) large trace change predicted (9.37395e-07%) linmin: converged after 10 iterations. iteration 329: trace = 2.532227487423934 (9.37392e-07% change) linmin: converged after 7 iterations. iteration 330: trace = 2.532227469416178 (7.11143e-07% change) linmin: converged after 4 iterations. iteration 331: trace = 2.532227457337593 (4.76994e-07% change) large trace change predicted (1.05485e-06%) linmin: converged after 5 iterations. iteration 332: trace = 2.532227430626835 (1.05483e-06% change) linmin: converged after 6 iterations. iteration 333: trace = 2.532227401407428 (1.1539e-06% change) linmin: converged after 6 iterations. iteration 334: trace = 2.532227386100983 (6.04466e-07% change) large trace change predicted (2.59174e-06%) linmin: converged after 5 iterations. iteration 335: trace = 2.532227320483586 (2.59129e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.532227295956058 (9.68615e-07% change) linmin: converged after 13 iterations. iteration 337: trace = 2.532227261567908 (1.35802e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.532227223190031 (1.51558e-06% change) linmin: converged after 13 iterations. iteration 339: trace = 2.532227213062827 (3.99933e-07% change) large trace change predicted (1.11908e-06%) linmin: converged after 2 iterations. iteration 340: trace = 2.532227184725259 (1.11908e-06% change) linmin: converged after 5 iterations. iteration 341: trace = 2.532227156567081 (1.11199e-06% change) linmin: converged after 26 iterations. iteration 342: trace = 2.532227149234667 (2.89564e-07% change) large trace change predicted (9.93616e-07%) linmin: converged after 8 iterations. iteration 343: trace = 2.532227124074541 (9.93597e-07% change) linmin: converged after 3 iterations. iteration 344: trace = 2.532227099990968 (9.51083e-07% change) linmin: converged after 6 iterations. iteration 345: trace = 2.532227095741382 (1.6782e-07% change) large trace change predicted (6.09988e-07%) linmin: converged after 12 iterations. iteration 346: trace = 2.532227080295314 (6.0998e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.532227074904009 (2.12908e-07% change) linmin: converged after 4 iterations. iteration 348: trace = 2.532227068322451 (2.59912e-07% change) large trace change predicted (8.83442e-07%) linmin: converged after 3 iterations. iteration 349: trace = 2.532227045951809 (8.83437e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.532227040988008 (1.96025e-07% change) large trace change predicted (5.18079e-07%) linmin: converged after 3 iterations. iteration 351: trace = 2.532227027869185 (5.18075e-07% change) linmin: converged after 10 iterations. iteration 352: trace = 2.532227021890137 (2.36118e-07% change) linmin: converged after 4 iterations. iteration 353: trace = 2.532227016141556 (2.27017e-07% change) linmin: converged after 2 iterations. iteration 354: trace = 2.532227005061205 (4.37573e-07% change) linmin: converged after 7 iterations. iteration 355: trace = 2.532226999060676 (2.36966e-07% change) linmin: converged after 18 iterations. iteration 356: trace = 2.532226987528273 (4.55425e-07% change) linmin: converged after 4 iterations. iteration 357: trace = 2.532226971888166 (6.17642e-07% change) linmin: converged after 27 iterations. iteration 358: trace = 2.53222696656967 (2.10032e-07% change) large trace change predicted (5.99191e-07%) linmin: converged after 5 iterations. iteration 359: trace = 2.532226951396199 (5.99214e-07% change) linmin: converged after 5 iterations. iteration 360: trace = 2.532226937830583 (5.35719e-07% change) linmin: converged after 8 iterations. iteration 361: trace = 2.532226932849762 (1.96697e-07% change) large trace change predicted (7.76179e-07%) linmin: converged after 6 iterations. iteration 362: trace = 2.532226913193708 (7.76236e-07% change) linmin: converged after 18 iterations. iteration 363: trace = 2.532226900780716 (4.90201e-07% change) linmin: converged after 9 iterations. iteration 364: trace = 2.532226889529568 (4.44318e-07% change) linmin: converged after 4 iterations. iteration 365: trace = 2.532226872035308 (6.90865e-07% change) linmin: converged after 7 iterations. iteration 366: trace = 2.532226866057488 (2.3607e-07% change) linmin: converged after 11 iterations. iteration 367: trace = 2.532226858635666 (2.93095e-07% change) linmin: converged after 4 iterations. iteration 368: trace = 2.532226849914852 (3.44393e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226846585523 (1.31478e-07% change) linmin: converged after 6 iterations. iteration 370: trace = 2.532226840116615 (2.55463e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.532226834066134 (2.38939e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226831136873 (1.15679e-07% change) large trace change predicted (2.71863e-07%) linmin: converged after 7 iterations. iteration 373: trace = 2.532226824252862 (2.71856e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226818804747 (2.15151e-07% change) linmin: converged after 4 iterations. iteration 375: trace = 2.532226816985869 (7.18292e-08% change) large trace change predicted (4.69998e-07%) linmin: converged after 4 iterations. iteration 376: trace = 2.532226805085525 (4.69956e-07% change) linmin: converged after 4 iterations. iteration 377: trace = 2.532226793978924 (4.3861e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226791717375 (8.93107e-08% change) large trace change predicted (2.99245e-07%) linmin: converged after 4 iterations. iteration 379: trace = 2.532226784140233 (2.99228e-07% change) linmin: converged after 9 iterations. iteration 380: trace = 2.532226778061329 (2.40062e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.532226776266904 (7.08635e-08% change) large trace change predicted (3.15856e-07%) linmin: converged after 13 iterations. iteration 382: trace = 2.532226768269215 (3.15836e-07% change) linmin: converged after 15 iterations. iteration 383: trace = 2.532226764960075 (1.30681e-07% change) linmin: converged after 4 iterations. iteration 384: trace = 2.532226761410887 (1.40161e-07% change) linmin: converged after 11 iterations. iteration 385: trace = 2.532226755346795 (2.39477e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226754369006 (3.86138e-08% change) large trace change predicted (1.64254e-07%) linmin: converged after 13 iterations. iteration 387: trace = 2.532226750209787 (1.64251e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226748026249 (8.62299e-08% change) linmin: converged after 11 iterations. iteration 389: trace = 2.532226746847474 (4.65509e-08% change) large trace change predicted (1.28469e-07%) linmin: converged after 9 iterations. iteration 390: trace = 2.53222674359436 (1.28469e-07% change) linmin: converged after 5 iterations. iteration 391: trace = 2.532226741757822 (7.25266e-08% change) linmin: converged after 16 iterations. iteration 392: trace = 2.532226738861139 (1.14393e-07% change) linmin: converged after 10 iterations. iteration 393: trace = 2.532226733405109 (2.15464e-07% change) linmin: converged after 12 iterations. iteration 394: trace = 2.532226732041943 (5.38327e-08% change) large trace change predicted (2.30325e-07%) linmin: converged after 9 iterations. iteration 395: trace = 2.532226726209484 (2.30329e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.532226721181661 (1.98553e-07% change) linmin: converged after 7 iterations. iteration 397: trace = 2.53222671819531 (1.17934e-07% change) linmin: converged after 14 iterations. iteration 398: trace = 2.532226715817094 (9.39179e-08% change) linmin: converged after 6 iterations. iteration 399: trace = 2.532226712265436 (1.40258e-07% change) linmin: converged after 16 iterations. iteration 400: trace = 2.53222671167875 (2.31688e-08% change) large trace change predicted (8.6474e-08%) linmin: converged after 6 iterations. iteration 401: trace = 2.532226709489003 (8.64752e-08% change) linmin: converged after 9 iterations. iteration 402: trace = 2.532226707500103 (7.85435e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.532226707067849 (1.70701e-08% change) large trace change predicted (5.98918e-08%) linmin: converged after 4 iterations. iteration 404: trace = 2.532226705551238 (5.98924e-08% change) linmin: converged after 12 iterations. iteration 405: trace = 2.53222670289734 (1.04805e-07% change) linmin: converged after 26 iterations. iteration 406: trace = 2.532226702406033 (1.94022e-08% change) large trace change predicted (1.20269e-07%) linmin: converged after 6 iterations. iteration 407: trace = 2.532226699360527 (1.2027e-07% change) linmin: converged after 8 iterations. iteration 408: trace = 2.532226697541907 (7.1819e-08% change) linmin: converged after 4 iterations. iteration 409: trace = 2.532226696065962 (5.82865e-08% change) linmin: converged after 4 iterations. iteration 410: trace = 2.532226693315305 (1.08626e-07% change) linmin: converged after 8 iterations. iteration 411: trace = 2.532226691441739 (7.39889e-08% change) linmin: converged after 4 iterations. iteration 412: trace = 2.532226688297652 (1.24163e-07% change) linmin: converged after 5 iterations. iteration 413: trace = 2.532226684456895 (1.51675e-07% change) linmin: converged after 15 iterations. iteration 414: trace = 2.532226683616031 (3.32065e-08% change) large trace change predicted (1.12157e-07%) linmin: converged after 4 iterations. iteration 415: trace = 2.532226680775923 (1.12159e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.532226678766762 (7.93436e-08% change) linmin: converged after 7 iterations. iteration 417: trace = 2.532226678215241 (2.17801e-08% change) large trace change predicted (6.40645e-08%) linmin: converged after 4 iterations. iteration 418: trace = 2.532226676592989 (6.40642e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.53222667588098 (2.81179e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226675423795 (1.80547e-08% change) large trace change predicted (4.73331e-08%) linmin: converged after 4 iterations. iteration 421: trace = 2.532226674225206 (4.73334e-08% change) linmin: converged after 23 iterations. iteration 422: trace = 2.53222667381898 (1.60422e-08% change) large trace change predicted (4.92935e-08%) linmin: converged after 5 iterations. iteration 423: trace = 2.532226672570758 (4.92935e-08% change) linmin: converged after 7 iterations. iteration 424: trace = 2.53222667071757 (7.31842e-08% change) linmin: converged after 6 iterations. iteration 425: trace = 2.532226670199202 (2.04708e-08% change) large trace change predicted (9.33771e-08%) linmin: converged after 5 iterations. iteration 426: trace = 2.532226667834682 (9.33771e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.532226666430991 (5.54331e-08% change) linmin: converged after 13 iterations. iteration 428: trace = 2.532226664809572 (6.40314e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.532226662829617 (7.81903e-08% change) linmin: converged after 7 iterations. iteration 430: trace = 2.532226662250559 (2.28675e-08% change) large trace change predicted (6.02879e-08%) linmin: converged after 4 iterations. iteration 431: trace = 2.532226660723937 (6.02877e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.53222665923754 (5.86992e-08% change) linmin: converged after 4 iterations. iteration 433: trace = 2.532226658818424 (1.65513e-08% change) large trace change predicted (6.53153e-08%) linmin: converged after 4 iterations. iteration 434: trace = 2.532226657164508 (6.53147e-08% change) linmin: converged after 4 iterations. iteration 435: trace = 2.532226655827549 (5.27978e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.532226655607375 (8.69486e-09% change) large trace change predicted (2.2056e-08%) linmin: converged after 4 iterations. iteration 437: trace = 2.532226655048861 (2.20563e-08% change) linmin: converged after 4 iterations. iteration 438: trace = 2.532226654205513 (3.33046e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.53222665398008 (8.90258e-09% change) large trace change predicted (4.26872e-08%) linmin: converged after 4 iterations. iteration 440: trace = 2.532226652899149 (4.2687e-08% change) linmin: converged after 4 iterations. iteration 441: trace = 2.532226652419761 (1.89315e-08% change) large trace change predicted (4.58772e-08%) linmin: converged after 4 iterations. iteration 442: trace = 2.532226651258042 (4.58774e-08% change) linmin: converged after 26 iterations. iteration 443: trace = 2.532226649700638 (6.15033e-08% change) linmin: converged after 13 iterations. iteration 444: trace = 2.532226648367022 (5.26657e-08% change) linmin: converged after 13 iterations. iteration 445: trace = 2.532226647455804 (3.59849e-08% change) large trace change predicted (7.5615e-08%) linmin: converged after 5 iterations. iteration 446: trace = 2.532226645541076 (7.56144e-08% change) linmin: converged after 13 iterations. iteration 447: trace = 2.53222664408224 (5.76108e-08% change) linmin: converged after 5 iterations. iteration 448: trace = 2.532226643793425 (1.14056e-08% change) large trace change predicted (4.50751e-08%) linmin: converged after 4 iterations. iteration 449: trace = 2.532226642652013 (4.50754e-08% change) linmin: converged after 4 iterations. iteration 450: trace = 2.532226641836798 (3.21936e-08% change) linmin: converged after 8 iterations. iteration 451: trace = 2.532226641442229 (1.55819e-08% change) linmin: converged after 4 iterations. iteration 452: trace = 2.532226640716056 (2.86772e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.532226639916962 (3.1557e-08% change) linmin: converged after 4 iterations. iteration 454: trace = 2.532226639459114 (1.80808e-08% change) large trace change predicted (5.23376e-08%) linmin: converged after 5 iterations. iteration 455: trace = 2.532226638133809 (5.23376e-08% change) linmin: converged after 19 iterations. iteration 456: trace = 2.532226637929887 (8.05304e-09% change) large trace change predicted (5.04412e-08%) linmin: converged after 11 iterations. iteration 457: trace = 2.532226636652595 (5.04415e-08% change) linmin: converged after 6 iterations. iteration 458: trace = 2.532226636107224 (2.15372e-08% change) linmin: converged after 7 iterations. iteration 459: trace = 2.532226635477153 (2.48821e-08% change) large trace change predicted (5.70241e-08%) linmin: converged after 5 iterations. iteration 460: trace = 2.532226634033158 (5.70247e-08% change) linmin: converged after 6 iterations. iteration 461: trace = 2.532226633499404 (2.10784e-08% change) large trace change predicted (5.85838e-08%) linmin: converged after 10 iterations. iteration 462: trace = 2.532226632015922 (5.85841e-08% change) linmin: converged after 11 iterations. iteration 463: trace = 2.532226630253071 (6.96166e-08% change) linmin: converged after 16 iterations. iteration 464: trace = 2.532226629912491 (1.34498e-08% change) large trace change predicted (4.3424e-08%) linmin: converged after 4 iterations. iteration 465: trace = 2.53222662881289 (4.34243e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.532226627959915 (3.36848e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.532226627498546 (1.82199e-08% change) linmin: converged after 3 iterations. iteration 468: trace = 2.532226627075129 (1.67211e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.532226626441271 (2.50316e-08% change) linmin: converged after 4 iterations. iteration 470: trace = 2.53222662632318 (4.66355e-09% change) large trace change predicted (3.28881e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226625490378 (3.28881e-08% change) linmin: converged after 4 iterations. iteration 472: trace = 2.532226624881645 (2.40394e-08% change) linmin: converged after 5 iterations. iteration 473: trace = 2.53222662458422 (1.17456e-08% change) large trace change predicted (3.13413e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226623790609 (3.13405e-08% change) linmin: converged after 6 iterations. iteration 475: trace = 2.532226622342675 (5.71803e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.532226622108239 (9.25808e-09% change) large trace change predicted (4.84313e-08%) linmin: converged after 4 iterations. iteration 477: trace = 2.532226620881875 (4.84303e-08% change) linmin: converged after 7 iterations. iteration 478: trace = 2.532226620218375 (2.62023e-08% change) linmin: converged after 4 iterations. iteration 479: trace = 2.532226619901587 (1.25103e-08% change) large trace change predicted (3.02198e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226619136358 (3.02196e-08% change) linmin: converged after 18 iterations. iteration 481: trace = 2.532226618595486 (2.13595e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618152311 (1.75014e-08% change) linmin: converged after 4 iterations. iteration 483: trace = 2.532226617618823 (2.10679e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226617494567 (4.90699e-09% change) large trace change predicted (1.63605e-08%) linmin: converged after 4 iterations. iteration 485: trace = 2.532226617080294 (1.636e-08% change) linmin: converged after 17 iterations. iteration 486: trace = 2.532226616847655 (9.18711e-09% change) linmin: converged after 4 iterations. iteration 487: trace = 2.532226616725278 (4.83277e-09% change) large trace change predicted (9.70877e-09%) linmin: converged after 16 iterations. iteration 488: trace = 2.532226616479439 (9.70843e-09% change) linmin: converged after 4 iterations. iteration 489: trace = 2.532226616121934 (1.41182e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.532226615866285 (1.00958e-08% change) linmin: converged after 18 iterations. iteration 491: trace = 2.532226615607721 (1.02109e-08% change) linmin: converged after 4 iterations. iteration 492: trace = 2.532226615534273 (2.90054e-09% change) large trace change predicted (7.3776e-09%) linmin: converged after 5 iterations. iteration 493: trace = 2.532226615347462 (7.37731e-09% change) linmin: converged after 4 iterations. iteration 494: trace = 2.532226615036496 (1.22804e-08% change) linmin: converged after 17 iterations. iteration 495: trace = 2.532226614956055 (3.17671e-09% change) large trace change predicted (1.79612e-08%) linmin: converged after 3 iterations. iteration 496: trace = 2.532226614501235 (1.79613e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226614323281 (7.02756e-09% change) large trace change predicted (1.62759e-08%) linmin: converged after 15 iterations. iteration 498: trace = 2.532226613911137 (1.6276e-08% change) linmin: converged after 4 iterations. iteration 499: trace = 2.532226613473965 (1.72644e-08% change) linmin: converged after 18 iterations. iteration 500: trace = 2.532226613300609 (6.84597e-09% change) large trace change predicted (1.50208e-08%) linmin: converged after 4 iterations. iteration 501: trace = 2.532226612920248 (1.50208e-08% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226612470073 (1.77778e-08% change) linmin: converged after 4 iterations. iteration 503: trace = 2.532226612356721 (4.47638e-09% change) large trace change predicted (1.95798e-08%) linmin: converged after 13 iterations. iteration 504: trace = 2.532226611860909 (1.95801e-08% change) linmin: converged after 7 iterations. iteration 505: trace = 2.532226611441882 (1.65478e-08% change) linmin: converged after 28 iterations. iteration 506: trace = 2.532226611366337 (2.98332e-09% change) large trace change predicted (7.9279e-09%) linmin: converged after 16 iterations. iteration 507: trace = 2.532226611165593 (7.92756e-09% change) linmin: converged after 2 iterations. iteration 508: trace = 2.5322266109962 (6.6895e-09% change) linmin: converged after 4 iterations. iteration 509: trace = 2.532226610921954 (2.93202e-09% change) large trace change predicted (7.70161e-09%) linmin: converged after 27 iterations. iteration 510: trace = 2.53222661072693 (7.70172e-09% change) linmin: converged after 5 iterations. iteration 511: trace = 2.532226610675922 (2.01434e-09% change) large trace change predicted (8.878e-09%) linmin: converged after 5 iterations. iteration 512: trace = 2.532226610451103 (8.87831e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226610258231 (7.61669e-09% change) linmin: converged after 5 iterations. iteration 514: trace = 2.532226610081306 (6.98696e-09% change) linmin: converged after 4 iterations. iteration 515: trace = 2.532226609989454 (3.6273e-09% change) large trace change predicted (1.48122e-08%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609614377 (1.48122e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.532226609351298 (1.03892e-08% change) linmin: converged after 4 iterations. iteration 518: trace = 2.532226609268949 (3.25205e-09% change) large trace change predicted (8.16007e-09%) linmin: converged after 5 iterations. iteration 519: trace = 2.532226609062318 (8.16006e-09% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608914733 (5.82825e-09% change) linmin: converged after 4 iterations. iteration 521: trace = 2.532226608858602 (2.21665e-09% change) large trace change predicted (6.84283e-09%) linmin: converged after 4 iterations. iteration 522: trace = 2.53222660868534 (6.84229e-09% change) linmin: converged after 3 iterations. iteration 523: trace = 2.532226608553914 (5.19015e-09% change) linmin: converged after 2 iterations. iteration 524: trace = 2.532226608519432 (1.3617e-09% change) large trace change predicted (6.29536e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226608360018 (6.29542e-09% change) linmin: converged after 3 iterations. iteration 526: trace = 2.532226608329935 (1.18801e-09% change) large trace change predicted (4.32886e-09%) linmin: converged after 23 iterations. iteration 527: trace = 2.532226608220324 (4.32862e-09% change) linmin: converged after 11 iterations. iteration 528: trace = 2.532226608148377 (2.84127e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226608119159 (1.15386e-09% change) large trace change predicted (4.41093e-09%) linmin: converged after 14 iterations. iteration 530: trace = 2.532226608007471 (4.41066e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.532226607969139 (1.51375e-09% change) large trace change predicted (4.70911e-09%) linmin: converged after 4 iterations. iteration 532: trace = 2.532226607849902 (4.70878e-09% change) linmin: converged after 6 iterations. iteration 533: trace = 2.532226607693515 (6.17587e-09% change) linmin: converged after 18 iterations. iteration 534: trace = 2.532226607639822 (2.12039e-09% change) large trace change predicted (4.53703e-09%) linmin: converged after 6 iterations. iteration 535: trace = 2.532226607524946 (4.53655e-09% change) linmin: converged after 3 iterations. iteration 536: trace = 2.532226607389461 (5.35045e-09% change) linmin: converged after 11 iterations. iteration 537: trace = 2.532226607352895 (1.44402e-09% change) large trace change predicted (3.26981e-09%) linmin: converged after 4 iterations. iteration 538: trace = 2.532226607270099 (3.26969e-09% change) linmin: converged after 9 iterations. iteration 539: trace = 2.532226607207107 (2.48762e-09% change) linmin: converged after 15 iterations. iteration 540: trace = 2.532226607187963 (7.56006e-10% change) large trace change predicted (2.30887e-09%) linmin: converged after 16 iterations. iteration 541: trace = 2.53222660712949 (2.30916e-09% change) linmin: converged after 6 iterations. iteration 542: trace = 2.532226607083738 (1.80678e-09% change) linmin: converged after 5 iterations. iteration 543: trace = 2.532226607070545 (5.21022e-10% change) large trace change predicted (1.49814e-09%) linmin: converged after 21 iterations. iteration 544: trace = 2.532226607032615 (1.49788e-09% change) linmin: converged after 22 iterations. iteration 545: trace = 2.53222660696142 (2.81154e-09% change) linmin: converged after 16 iterations. iteration 546: trace = 2.532226606939465 (8.67054e-10% change) large trace change predicted (3.65261e-09%) linmin: converged after 7 iterations. iteration 547: trace = 2.53222660684698 (3.65229e-09% change) linmin: converged after 15 iterations. iteration 548: trace = 2.532226606776594 (2.77964e-09% change) linmin: converged after 21 iterations. iteration 549: trace = 2.532226606746919 (1.17189e-09% change) large trace change predicted (2.90002e-09%) linmin: converged after 12 iterations. iteration 550: trace = 2.532226606673486 (2.89993e-09% change) linmin: converged after 4 iterations. iteration 551: trace = 2.532226606565722 (4.25568e-09% change) linmin: converged after 15 iterations. iteration 552: trace = 2.532226606546186 (7.7151e-10% change) large trace change predicted (3.05834e-09%) linmin: converged after 4 iterations. iteration 553: trace = 2.532226606468742 (3.05833e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.532226606410942 (2.28259e-09% change) linmin: converged after 16 iterations. iteration 555: trace = 2.532226606383857 (1.06959e-09% change) linmin: converged after 15 iterations. iteration 556: trace = 2.532226606333162 (2.00198e-09% change) linmin: converged after 15 iterations. iteration 557: trace = 2.532226606317812 (6.06219e-10% change) linmin: converged after 13 iterations. iteration 558: trace = 2.532226606293732 (9.50918e-10% change) linmin: converged after 17 iterations. iteration 559: trace = 2.532226606249549 (1.74484e-09% change) resetting CG direction... linmin: converged after 16 iterations. iteration 560: trace = 2.532226606235765 (5.44329e-10% change) large trace change predicted (1.22975e-09%) linmin: converged after 4 iterations. iteration 561: trace = 2.532226606204609 (1.23038e-09% change) linmin: converged after 13 iterations. iteration 562: trace = 2.532226606184677 (7.87153e-10% change) linmin: converged after 3 iterations. iteration 563: trace = 2.532226606163898 (8.20562e-10% change) linmin: converged after 15 iterations. iteration 564: trace = 2.532226606122554 (1.63274e-09% change) linmin: converged after 12 iterations. iteration 565: trace = 2.5322266061036 (7.48483e-10% change) large trace change predicted (1.97492e-09%) linmin: converged after 14 iterations. iteration 566: trace = 2.532226606053579 (1.97537e-09% change) linmin: converged after 7 iterations. iteration 567: trace = 2.532226606002348 (2.0232e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.532226605984753 (6.94836e-10% change) large trace change predicted (2.80603e-09%) linmin: converged after 4 iterations. iteration 569: trace = 2.532226605913701 (2.80591e-09% change) linmin: converged after 4 iterations. iteration 570: trace = 2.532226605883114 (1.20791e-09% change) linmin: converged after 6 iterations. iteration 571: trace = 2.532226605849983 (1.30835e-09% change) linmin: converged after 7 iterations. iteration 572: trace = 2.532226605810577 (1.55617e-09% change) linmin: converged after 19 iterations. iteration 573: trace = 2.532226605789349 (8.38328e-10% change) linmin: converged after 18 iterations. iteration 574: trace = 2.532226605758182 (1.2308e-09% change) linmin: converged after 6 iterations. iteration 575: trace = 2.532226605716467 (1.64737e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605710227 (2.46454e-10% change) large trace change predicted (8.40653e-10%) linmin: converged after 18 iterations. iteration 577: trace = 2.532226605688924 (8.41239e-10% change) linmin: converged after 6 iterations. iteration 578: trace = 2.532226605671759 (6.77877e-10% change) linmin: converged after 6 iterations. iteration 579: trace = 2.532226605665328 (2.53978e-10% change) large trace change predicted (9.78478e-10%) linmin: converged after 9 iterations. iteration 580: trace = 2.53222660564055 (9.78505e-10% change) linmin: converged after 12 iterations. iteration 581: trace = 2.532226605616575 (9.46797e-10% change) linmin: converged after 6 iterations. iteration 582: trace = 2.532226605602208 (5.67356e-10% change) large trace change predicted (1.62451e-09%) linmin: converged after 4 iterations. iteration 583: trace = 2.532226605561076 (1.62432e-09% change) linmin: converged after 4 iterations. iteration 584: trace = 2.532226605503742 (2.26418e-09% change) linmin: converged after 5 iterations. iteration 585: trace = 2.532226605477156 (1.04993e-09% change) linmin: converged after 23 iterations. iteration 586: trace = 2.532226605446706 (1.20249e-09% change) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605401965 (1.76687e-09% change) linmin: converged after 16 iterations. iteration 588: trace = 2.532226605391913 (3.96944e-10% change) large trace change predicted (1.33465e-09%) linmin: converged after 3 iterations. iteration 589: trace = 2.532226605358118 (1.33459e-09% change) linmin: converged after 4 iterations. iteration 590: trace = 2.532226605325717 (1.27955e-09% change) linmin: converged after 7 iterations. iteration 591: trace = 2.532226605306918 (7.42415e-10% change) linmin: converged after 7 iterations. iteration 592: trace = 2.532226605297595 (3.68165e-10% change) large trace change predicted (1.02223e-09%) linmin: converged after 10 iterations. iteration 593: trace = 2.532226605271706 (1.02237e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605258597 (5.17689e-10% change) linmin: converged after 13 iterations. iteration 595: trace = 2.532226605233021 (1.01002e-09% change) linmin: converged after 23 iterations. iteration 596: trace = 2.532226605201686 (1.23745e-09% change) linmin: converged after 5 iterations. iteration 597: trace = 2.532226605193391 (3.276e-10% change) large trace change predicted (1.24379e-09%) linmin: converged after 6 iterations. iteration 598: trace = 2.532226605161894 (1.24385e-09% change) linmin: converged after 4 iterations. iteration 599: trace = 2.532226605130051 (1.25751e-09% change) linmin: converged after 6 iterations. iteration 600: trace = 2.532226605120467 (3.78477e-10% change) large trace change predicted (1.32899e-09%) linmin: converged after 7 iterations. iteration 601: trace = 2.532226605086822 (1.32868e-09% change) linmin: converged after 4 iterations. iteration 602: trace = 2.532226605046028 (1.61098e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.532226605034245 (4.6534e-10% change) large trace change predicted (1.91254e-09%) linmin: converged after 6 iterations. iteration 604: trace = 2.53222660498581 (1.91274e-09% change) linmin: converged after 13 iterations. iteration 605: trace = 2.532226604975911 (3.90893e-10% change) linmin: converged after 4 iterations. iteration 606: trace = 2.532226604957898 (7.11374e-10% change) linmin: converged after 4 iterations. iteration 607: trace = 2.532226604933896 (9.47849e-10% change) linmin: converged after 9 iterations. iteration 608: trace = 2.532226604919818 (5.55939e-10% change) linmin: converged after 4 iterations. iteration 609: trace = 2.532226604908639 (4.41471e-10% change) linmin: converged after 3 iterations. iteration 610: trace = 2.532226604891969 (6.58305e-10% change) linmin: converged after 7 iterations. iteration 611: trace = 2.532226604887942 (1.59065e-10% change) large trace change predicted (7.55131e-10%) linmin: converged after 4 iterations. iteration 612: trace = 2.532226604868821 (7.55077e-10% change) linmin: converged after 15 iterations. iteration 613: trace = 2.532226604852189 (6.56832e-10% change) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604833023 (7.56883e-10% change) linmin: converged after 18 iterations. iteration 615: trace = 2.532226604815444 (6.94187e-10% change) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604781584 (1.3372e-09% change) linmin: converged after 21 iterations. iteration 617: trace = 2.532226604758109 (9.27015e-10% change) linmin: converged after 4 iterations. iteration 618: trace = 2.532226604751341 (2.67307e-10% change) large trace change predicted (9.17578e-10%) linmin: converged after 4 iterations. iteration 619: trace = 2.532226604728109 (9.17439e-10% change) linmin: converged after 3 iterations. iteration 620: trace = 2.532226604719532 (3.38719e-10% change) linmin: converged after 11 iterations. iteration 621: trace = 2.532226604703976 (6.14321e-10% change) linmin: converged after 13 iterations. iteration 622: trace = 2.532226604686838 (6.76807e-10% change) linmin: converged after 4 iterations. iteration 623: trace = 2.532226604683038 (1.50051e-10% change) large trace change predicted (6.15864e-10%) linmin: converged after 6 iterations. iteration 624: trace = 2.532226604667447 (6.15707e-10% change) linmin: converged after 12 iterations. iteration 625: trace = 2.532226604656942 (4.14832e-10% change) linmin: converged after 6 iterations. iteration 626: trace = 2.532226604654359 (1.02033e-10% change) large trace change predicted (3.11322e-10%) linmin: converged after 2 iterations. iteration 627: trace = 2.532226604646481 (3.11098e-10% change) linmin: converged after 4 iterations. iteration 628: trace = 2.532226604640987 (2.16956e-10% change) linmin: converged after 19 iterations. iteration 629: trace = 2.532226604637836 (1.24429e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.532226604634824 (1.18957e-10% change) linmin: converged after 10 iterations. iteration 631: trace = 2.53222660462995 (1.92492e-10% change) linmin: converged after 4 iterations. iteration 632: trace = 2.532226604622998 (2.74514e-10% change) linmin: converged after 4 iterations. iteration 633: trace = 2.532226604621184 (7.16582e-11% change) Finished solving for bands 1 to 10 after 633 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 20.91546368598938 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.553206031362737 (2.55578% change) linmin: converged after 5 iterations. iteration 2: trace = 2.488913444194987 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199436076846 (0.957346% change) linmin: converged after 6 iterations. iteration 4: trace = 2.460843030360708 (0.176872% change) large trace change predicted (0.419622%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658539861887 (0.41472% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937453181063 (0.111097% change) linmin: converged after 4 iterations. iteration 7: trace = 2.445239382225386 (0.110279% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317544660353 (0.119562% change) linmin: converged after 4 iterations. iteration 9: trace = 2.44140924627817 (0.0371969% change) linmin: converged after 4 iterations. iteration 10: trace = 2.439907647757195 (0.0615243% change) linmin: converged after 4 iterations. iteration 11: trace = 2.439403424189361 (0.0206678% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989982248936 (0.0169499% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435777335223 (0.0227253% change) linmin: converged after 3 iterations. iteration 14: trace = 2.438281782905086 (0.0063155% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. iteration 15: trace = 2.43791126977927 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756507629662 (0.00634835% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475065589291 (0.0115458% change) linmin: converged after 4 iterations. iteration 18: trace = 2.437033036976055 (0.0181363% change) linmin: converged after 4 iterations. iteration 19: trace = 2.43685098699649 (0.00747043% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522616013903 (0.0134761% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395607515336 (0.00521283% change) large trace change predicted (0.0178792%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954738888967 (0.0180968% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746534065983 (0.00854752% change) linmin: converged after 3 iterations. iteration 24: trace = 2.435488750112663 (0.0105839% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193457490807 (0.0121253% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111828415738 (0.00335211% change) large trace change predicted (0.017002%) linmin: converged after 4 iterations. iteration 27: trace = 2.43469482715335 (0.017126% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620988677649 (0.00303281% change) large trace change predicted (0.0100122%) linmin: converged after 3 iterations. iteration 29: trace = 2.43437690870728 (0.0100259% change) linmin: converged after 4 iterations. iteration 30: trace = 2.43419323895094 (0.00754512% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081318194742 (0.00459796% change) linmin: converged after 5 iterations. iteration 32: trace = 2.433914039620932 (0.00687259% change) linmin: converged after 3 iterations. iteration 33: trace = 2.4338625032911 (0.00211745% change) large trace change predicted (0.00703871%) linmin: converged after 5 iterations. iteration 34: trace = 2.433691149388272 (0.00704066% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624327962929 (0.00274572% change) large trace change predicted (0.00707849%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451875067064 (0.00708651% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377323177148 (0.00306367% change) linmin: converged after 8 iterations. iteration 38: trace = 2.433271910956217 (0.00433202% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178254188293 (0.00384908% change) linmin: converged after 3 iterations. iteration 40: trace = 2.43313588122862 (0.00174148% change) large trace change predicted (0.00592582%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991520712338 (0.00593328% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956081531094 (0.00145662% change) large trace change predicted (0.00705941%) linmin: converged after 3 iterations. iteration 43: trace = 2.432784010811163 (0.00707275% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719860689253 (0.00263694% change) large trace change predicted (0.00567873%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580683183807 (0.00572123% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479377094101 (0.00416464% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285038151029 (0.00798965% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170809048864 (0.00469648% change) linmin: converged after 3 iterations. iteration 49: trace = 2.43205261712219 (0.00485964% change) linmin: converged after 3 iterations. iteration 50: trace = 2.431877547991983 (0.00719867% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795715501146 (0.00336505% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696390596447 (0.00408451% change) linmin: converged after 4 iterations. iteration 53: trace = 2.43163675166686 (0.00245259% change) large trace change predicted (0.00592286%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492402662655 (0.00593647% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457161612052 (0.00144937% change) large trace change predicted (0.00664188%) linmin: converged after 6 iterations. iteration 56: trace = 2.431295742452088 (0.006639% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257082678923 (0.0015901% change) large trace change predicted (0.00464833%) linmin: converged after 3 iterations. iteration 58: trace = 2.431144079054743 (0.00464806% change) linmin: converged after 5 iterations. iteration 59: trace = 2.43109006350023 (0.00222184% change) linmin: converged after 4 iterations. iteration 60: trace = 2.43101670110592 (0.00301772% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957073363384 (0.00245282% change) linmin: converged after 5 iterations. iteration 62: trace = 2.430908614134767 (0.00199344% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849649032306 (0.00242567% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813244240472 (0.00149763% change) linmin: converged after 5 iterations. iteration 65: trace = 2.430743332585879 (0.0028761% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720448099641 (0.000941465% change) large trace change predicted (0.00257259%) linmin: converged after 3 iterations. iteration 67: trace = 2.430657830400569 (0.00257613% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628267821634 (0.00121625% change) large trace change predicted (0.00251897%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567035520857 (0.00251923% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539139675601 (0.00114772% change) linmin: converged after 6 iterations. iteration 71: trace = 2.43050461715701 (0.00142037% change) linmin: converged after 3 iterations. iteration 72: trace = 2.430479163085096 (0.00104728% change) linmin: converged after 3 iterations. iteration 73: trace = 2.430467725214088 (0.000470603% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449169572105 (0.000763463% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430819930132 (0.000754993% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421423358016 (0.000386622% change) large trace change predicted (0.000998985%) linmin: converged after 4 iterations. iteration 77: trace = 2.430397169438228 (0.000997936% change) linmin: converged after 3 iterations. iteration 78: trace = 2.430362084336738 (0.00144361% change) linmin: converged after 4 iterations. iteration 79: trace = 2.430349796637732 (0.000505593% change) large trace change predicted (0.00196789%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301929946472 (0.00196956% change) linmin: converged after 4 iterations. iteration 81: trace = 2.430250689900029 (0.0021084% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233421233337 (0.000710574% change) large trace change predicted (0.00379302%) linmin: converged after 5 iterations. iteration 83: trace = 2.430141305038561 (0.0037905% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430109131581245 (0.00132394% change) linmin: converged after 4 iterations. iteration 85: trace = 2.43005206404221 (0.00234838% change) linmin: converged after 4 iterations. iteration 86: trace = 2.430006086487789 (0.00189206% change) linmin: converged after 7 iterations. iteration 87: trace = 2.429964888512474 (0.0016954% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930838841785 (0.00140125% change) linmin: converged after 4 iterations. iteration 89: trace = 2.429891868263999 (0.00160379% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864673451509 (0.00111918% change) linmin: converged after 5 iterations. iteration 91: trace = 2.429844028015557 (0.000849657% change) linmin: converged after 3 iterations. iteration 92: trace = 2.429825142484705 (0.000777235% change) linmin: converged after 8 iterations. iteration 93: trace = 2.429820314285922 (0.000198706% change) linmin: converged after 3 iterations. iteration 94: trace = 2.42981148602705 (0.00036333% change) linmin: converged after 6 iterations. iteration 95: trace = 2.429799385416982 (0.000498007% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796386543552 (0.000123421% change) large trace change predicted (0.000517121%) linmin: converged after 5 iterations. iteration 97: trace = 2.429783823090209 (0.000517059% change) linmin: converged after 3 iterations. iteration 98: trace = 2.42977919039646 (0.000190663% change) large trace change predicted (0.000404852%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769359375633 (0.000404606% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751335685141 (0.000741789% change) linmin: converged after 3 iterations. iteration 101: trace = 2.42974235970544 (0.00036942% change) large trace change predicted (0.00141963%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707995663502 (0.00141432% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664565721701 (0.00178747% change) linmin: converged after 5 iterations. iteration 104: trace = 2.42964702785757 (0.000721825% change) large trace change predicted (0.00235947%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590048573153 (0.00234519% change) linmin: converged after 4 iterations. iteration 106: trace = 2.429561625327785 (0.00116989% change) linmin: converged after 4 iterations. iteration 107: trace = 2.429535153950943 (0.00108956% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519641099038 (0.000638513% change) linmin: converged after 6 iterations. iteration 109: trace = 2.429511959484579 (0.000316179% change) linmin: converged after 3 iterations. iteration 110: trace = 2.42949808733506 (0.000570987% change) linmin: converged after 8 iterations. iteration 111: trace = 2.429487389783991 (0.00044032% change) linmin: converged after 3 iterations. iteration 112: trace = 2.429483240447532 (0.000170791% change) large trace change predicted (0.000474359%) linmin: converged after 3 iterations. iteration 113: trace = 2.429471708916327 (0.000474651% change) linmin: converged after 4 iterations. iteration 114: trace = 2.429465175426988 (0.000268927% change) linmin: converged after 4 iterations. iteration 115: trace = 2.429459384426022 (0.000238366% change) large trace change predicted (0.000651483%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443530675194 (0.000652565% change) linmin: converged after 7 iterations. iteration 117: trace = 2.429437925774783 (0.000230707% change) linmin: converged after 3 iterations. iteration 118: trace = 2.429427448974294 (0.000431245% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413129384443 (0.000589424% change) linmin: converged after 5 iterations. iteration 120: trace = 2.429408305106738 (0.000198578% change) large trace change predicted (0.000901668%) linmin: converged after 6 iterations. iteration 121: trace = 2.429386296166249 (0.000905942% change) linmin: converged after 3 iterations. iteration 122: trace = 2.429375494004115 (0.000444647% change) linmin: converged after 5 iterations. iteration 123: trace = 2.429364830380552 (0.000438946% change) large trace change predicted (0.00110601%) linmin: converged after 6 iterations. iteration 124: trace = 2.429337832516658 (0.00111132% change) linmin: converged after 8 iterations. iteration 125: trace = 2.429334074443463 (0.000154695% change) large trace change predicted (0.000523829%) linmin: converged after 3 iterations. iteration 126: trace = 2.429321331718024 (0.000524537% change) linmin: converged after 5 iterations. iteration 127: trace = 2.429312097666204 (0.000380109% change) linmin: converged after 3 iterations. iteration 128: trace = 2.429307007200309 (0.000209544% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299567511793 (0.000306248% change) linmin: converged after 3 iterations. iteration 130: trace = 2.429296388183389 (0.000130874% change) linmin: converged after 3 iterations. iteration 131: trace = 2.429294305197595 (8.57444e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.42929212051325 (8.99309e-05% change) linmin: converged after 5 iterations. iteration 133: trace = 2.429291255636651 (3.5602e-05% change) large trace change predicted (0.00015545%) linmin: converged after 5 iterations. iteration 134: trace = 2.429287477581595 (0.000155521% change) linmin: converged after 3 iterations. iteration 135: trace = 2.429285631530993 (7.59915e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283955974118 (6.89733e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.429281360989607 (0.000106821% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278168745164 (0.000131407% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275615643764 (0.000105097% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.429274081049729 (6.31709e-05% change) linmin: converged after 3 iterations. iteration 141: trace = 2.429272900878934 (4.85812e-05% change) linmin: converged after 7 iterations. iteration 142: trace = 2.429271258659893 (6.76013e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.429270219395137 (4.27809e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268649595806 (6.46202e-05% change) linmin: converged after 4 iterations. iteration 145: trace = 2.429267046571921 (6.59879e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266480668664 (2.32952e-05% change) large trace change predicted (8.0888e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264516398175 (8.08586e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.429263293500672 (5.03402e-05% change) linmin: converged after 4 iterations. iteration 149: trace = 2.429261898786493 (5.74131e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259837676454 (8.48452e-05% change) linmin: converged after 8 iterations. iteration 151: trace = 2.42925685751498 (0.000122678% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255767492617 (4.48706e-05% change) large trace change predicted (0.000132911%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252540283388 (0.000132848% change) linmin: converged after 4 iterations. iteration 154: trace = 2.429251684932145 (3.52105e-05% change) large trace change predicted (0.000116036%) linmin: converged after 5 iterations. iteration 155: trace = 2.429248868944257 (0.00011592% change) linmin: converged after 5 iterations. iteration 156: trace = 2.429246679725355 (9.01192e-05% change) linmin: converged after 8 iterations. iteration 157: trace = 2.429245804768694 (3.60176e-05% change) large trace change predicted (0.000115897%) linmin: converged after 4 iterations. iteration 158: trace = 2.429242989597752 (0.000115887% change) linmin: converged after 9 iterations. iteration 159: trace = 2.429241082312708 (7.85136e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.429240313822391 (3.1635e-05% change) large trace change predicted (9.27162e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238062134854 (9.26911e-05% change) linmin: converged after 3 iterations. iteration 162: trace = 2.429235778366263 (9.40118e-05% change) linmin: converged after 3 iterations. iteration 163: trace = 2.429234972895046 (3.31574e-05% change) linmin: converged after 5 iterations. iteration 164: trace = 2.429234216157585 (3.11513e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.429233676033304 (2.22343e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.429233088046863 (2.42046e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.429232292217525 (3.27605e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.42923207816671 (8.81146e-06% change) large trace change predicted (2.03353e-05%) linmin: converged after 9 iterations. iteration 169: trace = 2.429231584177698 (2.03352e-05% change) large trace change predicted (4.69866e-05%) linmin: converged after 3 iterations. iteration 170: trace = 2.42923044187521 (4.70232e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.429230017413092 (1.74731e-05% change) large trace change predicted (4.90789e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228824528278 (4.91055e-05% change) large trace change predicted (0.000103191%) linmin: converged after 3 iterations. iteration 173: trace = 2.429226313607485 (0.000103363% change) linmin: converged after 7 iterations. iteration 174: trace = 2.429225404178712 (3.7437e-05% change) large trace change predicted (0.000151372%) linmin: converged after 4 iterations. iteration 175: trace = 2.429221716221592 (0.000151816% change) linmin: converged after 5 iterations. iteration 176: trace = 2.429220489257793 (5.05085e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.429218093087654 (9.86395e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.42921676948217 (5.44869e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216230110494 (2.22035e-05% change) linmin: converged after 5 iterations. iteration 180: trace = 2.429215479704055 (3.08909e-05% change) linmin: converged after 5 iterations. iteration 181: trace = 2.429214782184981 (2.87138e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.429214656815226 (5.16092e-06% change) large trace change predicted (1.8151e-05%) linmin: converged after 4 iterations. iteration 183: trace = 2.429214215841599 (1.81529e-05% change) linmin: converged after 6 iterations. iteration 184: trace = 2.429213856536286 (1.4791e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.429213475088318 (1.57025e-05% change) large trace change predicted (4.6099e-05%) linmin: converged after 4 iterations. iteration 186: trace = 2.429212355218381 (4.61001e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.429211618986779 (3.03074e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.42921100971993 (2.50809e-05% change) large trace change predicted (6.04116e-05%) linmin: converged after 3 iterations. iteration 189: trace = 2.429209542004621 (6.04194e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.42920826333305 (5.26374e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.429207042283614 (5.02653e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205452135962 (6.54596e-05% change) linmin: converged after 5 iterations. iteration 193: trace = 2.429204699315181 (3.09904e-05% change) large trace change predicted (7.81445e-05%) linmin: converged after 5 iterations. iteration 194: trace = 2.429202801493052 (7.81253e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.429201150331729 (6.79713e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.42920039351678 (3.11549e-05% change) large trace change predicted (8.60639e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.429198303371676 (8.60426e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.429196450470693 (7.62763e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196169118502 (1.15821e-05% change) large trace change predicted (4.26147e-05%) linmin: converged after 3 iterations. iteration 200: trace = 2.429195134034069 (4.26102e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.429194907173677 (9.33891e-06% change) linmin: converged after 3 iterations. iteration 202: trace = 2.429194470247337 (1.79865e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.429193894787002 (2.36894e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.429193638521898 (1.05494e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.429193216102306 (1.73893e-05% change) linmin: converged after 3 iterations. iteration 206: trace = 2.429192379078964 (3.44569e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.429192109590354 (1.10938e-05% change) large trace change predicted (2.90391e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.429191403936454 (2.90489e-05% change) large trace change predicted (8.80457e-05%) linmin: converged after 5 iterations. iteration 209: trace = 2.429189265857411 (8.80161e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188672541347 (2.44245e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.429187794337654 (3.61521e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.429187505651835 (1.1884e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429187103797991 (1.65427e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.429186541564523 (2.31449e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.429186408049783 (5.49627e-06% change) linmin: converged after 4 iterations. iteration 216: trace = 2.429186186482362 (9.12106e-06% change) large trace change predicted (2.48761e-05%) linmin: converged after 2 iterations. iteration 217: trace = 2.429185582193755 (2.48762e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429185446949942 (5.56746e-06% change) large trace change predicted (2.33215e-05%) linmin: converged after 2 iterations. iteration 219: trace = 2.429184880422572 (2.33217e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.429184631940468 (1.0229e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.429184384260597 (1.0196e-05% change) large trace change predicted (2.1406e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.429183864297827 (2.14048e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.429183493635564 (1.52587e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.429183190419661 (1.24822e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.42918261463907 (2.37026e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.429182379154117 (9.694e-06% change) linmin: converged after 3 iterations. iteration 227: trace = 2.42918192684769 (1.86197e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.429181242567633 (2.81692e-05% change) linmin: converged after 3 iterations. iteration 229: trace = 2.42918095421365 (1.18704e-05% change) large trace change predicted (2.42298e-05%) linmin: converged after 4 iterations. iteration 230: trace = 2.429180365685413 (2.42274e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.429179618990093 (3.07386e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179337336596 (1.15946e-05% change) large trace change predicted (2.32284e-05%) linmin: converged after 11 iterations. iteration 233: trace = 2.429178773115308 (2.32268e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.429178657100184 (4.7759e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.429178536209961 (4.97659e-06% change) linmin: converged after 3 iterations. iteration 236: trace = 2.429178343883593 (7.91734e-06% change) linmin: converged after 4 iterations. iteration 237: trace = 2.429178204630264 (5.73253e-06% change) linmin: converged after 2 iterations. iteration 238: trace = 2.42917816142219 (1.77871e-06% change) large trace change predicted (5.34574e-06%) linmin: converged after 4 iterations. iteration 239: trace = 2.42917803158329 (5.34497e-06% change) large trace change predicted (1.16713e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.429177748147822 (1.1668e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429177657935832 (3.71368e-06% change) large trace change predicted (1.07833e-05%) linmin: converged after 5 iterations. iteration 242: trace = 2.42917739604648 (1.0781e-05% change) linmin: converged after 3 iterations. iteration 243: trace = 2.42917710728093 (1.18874e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.429176910394232 (8.10508e-06% change) large trace change predicted (2.36389e-05%) linmin: converged after 6 iterations. iteration 245: trace = 2.42917633663171 (2.36196e-05% change) linmin: converged after 15 iterations. iteration 246: trace = 2.429176202598063 (5.51766e-06% change) large trace change predicted (2.15341e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.429175679871995 (2.15187e-05% change) linmin: converged after 23 iterations. iteration 248: trace = 2.429175343009855 (1.38673e-05% change) linmin: converged after 9 iterations. iteration 249: trace = 2.429175194020617 (6.13333e-06% change) large trace change predicted (1.56337e-05%) linmin: converged after 3 iterations. iteration 250: trace = 2.429174814378698 (1.56284e-05% change) linmin: converged after 8 iterations. iteration 251: trace = 2.429174481446114 (1.37056e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.429174357105019 (5.11866e-06% change) large trace change predicted (1.39603e-05%) linmin: converged after 3 iterations. iteration 253: trace = 2.429174018086213 (1.39561e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 2.429173741879164 (1.13704e-05% change) linmin: converged after 2 iterations. iteration 255: trace = 2.429173677584315 (2.64678e-06% change) large trace change predicted (5.33393e-06%) linmin: converged after 2 iterations. iteration 256: trace = 2.429173548013306 (5.33395e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.429173435341055 (4.6383e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.429173402343818 (1.35837e-06% change) large trace change predicted (6.69682e-06%) linmin: converged after 2 iterations. iteration 259: trace = 2.429173239666218 (6.69683e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429173042329324 (8.12362e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.429172893919024 (6.1095e-06% change) large trace change predicted (1.33082e-05%) linmin: converged after 4 iterations. iteration 262: trace = 2.429172570560426 (1.33115e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172402221267 (6.9299e-06% change) large trace change predicted (2.15043e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.429171879616455 (2.15137e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.429171378679531 (2.06217e-05% change) linmin: converged after 4 iterations. iteration 266: trace = 2.429171087907829 (1.197e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170649078435 (1.8065e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.42917034066825 (1.26961e-05% change) linmin: converged after 5 iterations. iteration 269: trace = 2.429170120590202 (9.0598e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.429169853067972 (1.10129e-05% change) linmin: converged after 4 iterations. iteration 271: trace = 2.429169782692725 (2.89709e-06% change) linmin: converged after 8 iterations. iteration 272: trace = 2.429169647358777 (5.5712e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.429169457039547 (7.83474e-06% change) linmin: converged after 5 iterations. iteration 274: trace = 2.429169401616531 (2.28156e-06% change) large trace change predicted (8.95491e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.429169184077152 (8.9553e-06% change) linmin: converged after 3 iterations. iteration 276: trace = 2.429169018290422 (6.82483e-06% change) linmin: converged after 6 iterations. iteration 277: trace = 2.429168962103825 (2.313e-06% change) large trace change predicted (7.94622e-06%) linmin: converged after 3 iterations. iteration 278: trace = 2.429168769066696 (7.94663e-06% change) linmin: converged after 4 iterations. iteration 279: trace = 2.429168632923884 (5.6045e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.429168576630961 (2.31737e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.42916851867674 (2.38576e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.429168404802359 (4.68779e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168342161834 (2.57868e-06% change) large trace change predicted (6.92847e-06%) linmin: converged after 4 iterations. iteration 284: trace = 2.429168173861497 (6.92831e-06% change) linmin: converged after 10 iterations. iteration 285: trace = 2.429168036040263 (5.6736e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.42916798622314 (2.05079e-06% change) large trace change predicted (7.50567e-06%) linmin: converged after 14 iterations. iteration 287: trace = 2.429167803949777 (7.50353e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.429167729995414 (3.04443e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.429167653365619 (3.15457e-06% change) large trace change predicted (8.05708e-06%) linmin: converged after 4 iterations. iteration 290: trace = 2.429167457717691 (8.05411e-06% change) linmin: converged after 8 iterations. iteration 291: trace = 2.429167385853118 (2.9584e-06% change) large trace change predicted (1.09297e-05%) linmin: converged after 4 iterations. iteration 292: trace = 2.429167120432732 (1.09264e-05% change) linmin: converged after 7 iterations. iteration 293: trace = 2.429166905393898 (8.85237e-06% change) linmin: converged after 5 iterations. iteration 294: trace = 2.429166805525453 (4.11122e-06% change) large trace change predicted (8.97879e-06%) linmin: converged after 3 iterations. iteration 295: trace = 2.4291665874151 (8.97881e-06% change) linmin: converged after 3 iterations. iteration 296: trace = 2.429166354788809 (9.57638e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166302102785 (2.16889e-06% change) large trace change predicted (8.1955e-06%) linmin: converged after 4 iterations. iteration 298: trace = 2.429166103057652 (8.19397e-06% change) linmin: converged after 4 iterations. iteration 299: trace = 2.429165994320619 (4.47631e-06% change) linmin: converged after 13 iterations. iteration 300: trace = 2.429165949277016 (1.85428e-06% change) large trace change predicted (3.84777e-06%) linmin: converged after 4 iterations. iteration 301: trace = 2.429165855800918 (3.84807e-06% change) linmin: converged after 12 iterations. iteration 302: trace = 2.429165834293266 (8.85392e-07% change) linmin: converged after 4 iterations. iteration 303: trace = 2.429165793160724 (1.69328e-06% change) linmin: converged after 4 iterations. iteration 304: trace = 2.42916571302527 (3.29889e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.429165660550319 (2.1602e-06% change) linmin: converged after 2 iterations. iteration 306: trace = 2.429165610517818 (2.05966e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.42916554617784 (2.64865e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.429165481878602 (2.64697e-06% change) linmin: converged after 7 iterations. iteration 309: trace = 2.429165438367942 (1.79118e-06% change) large trace change predicted (5.89145e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.429165295203664 (5.89356e-06% change) linmin: converged after 9 iterations. iteration 311: trace = 2.429165220836673 (3.06142e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.429165131318465 (3.68514e-06% change) large trace change predicted (7.51286e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.429164948732774 (7.5164e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.429164916807303 (1.31426e-06% change) large trace change predicted (5.73415e-06%) linmin: converged after 6 iterations. iteration 315: trace = 2.429164777466191 (5.73617e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.429164679212684 (4.04474e-06% change) linmin: converged after 3 iterations. iteration 317: trace = 2.429164633189034 (1.89463e-06% change) large trace change predicted (4.72909e-06%) linmin: converged after 6 iterations. iteration 318: trace = 2.429164518281024 (4.73035e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.429164437492391 (3.32578e-06% change) linmin: converged after 4 iterations. iteration 320: trace = 2.429164362216919 (3.09882e-06% change) linmin: converged after 4 iterations. iteration 321: trace = 2.429164280193572 (3.37661e-06% change) linmin: converged after 2 iterations. iteration 322: trace = 2.429164257338001 (9.40882e-07% change) linmin: converged after 4 iterations. iteration 323: trace = 2.429164222225173 (1.44547e-06% change) linmin: converged after 2 iterations. iteration 324: trace = 2.42916416645949 (2.29567e-06% change) linmin: converged after 5 iterations. iteration 325: trace = 2.429164152671873 (5.67587e-07% change) linmin: converged after 4 iterations. iteration 326: trace = 2.429164125376619 (1.12365e-06% change) linmin: converged after 13 iterations. iteration 327: trace = 2.429164076941678 (1.99389e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.429164067007343 (4.08961e-07% change) large trace change predicted (2.65202e-06%) linmin: converged after 3 iterations. iteration 329: trace = 2.429164002586434 (2.65198e-06% change) linmin: converged after 5 iterations. iteration 330: trace = 2.429163949975459 (2.16581e-06% change) linmin: converged after 4 iterations. iteration 331: trace = 2.429163914744769 (1.45032e-06% change) large trace change predicted (6.47921e-06%) linmin: converged after 14 iterations. iteration 332: trace = 2.429163757386819 (6.47786e-06% change) linmin: converged after 3 iterations. iteration 333: trace = 2.429163611751532 (5.99529e-06% change) linmin: converged after 5 iterations. iteration 334: trace = 2.429163556495768 (2.27468e-06% change) large trace change predicted (6.87058e-06%) linmin: converged after 4 iterations. iteration 335: trace = 2.42916338961098 (6.87005e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.429163259004453 (5.37661e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.42916321994965 (1.60775e-06% change) linmin: converged after 9 iterations. iteration 338: trace = 2.429163150571881 (2.85604e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.429163083495994 (2.76128e-06% change) linmin: converged after 10 iterations. iteration 340: trace = 2.429163050626066 (1.35314e-06% change) large trace change predicted (3.10946e-06%) linmin: converged after 3 iterations. iteration 341: trace = 2.429162975095957 (3.10931e-06% change) linmin: converged after 3 iterations. iteration 342: trace = 2.429162927868081 (1.9442e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.429162890170262 (1.55189e-06% change) linmin: converged after 2 iterations. iteration 344: trace = 2.429162852853158 (1.53621e-06% change) linmin: converged after 5 iterations. iteration 345: trace = 2.429162821491428 (1.29105e-06% change) linmin: converged after 12 iterations. iteration 346: trace = 2.429162788655552 (1.35174e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162730276376 (2.40326e-06% change) linmin: converged after 5 iterations. iteration 348: trace = 2.429162718064312 (5.02727e-07% change) large trace change predicted (2.09901e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.429162667078026 (2.09892e-06% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.429162629750855 (1.53663e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.429162618307405 (4.71086e-07% change) large trace change predicted (2.00542e-06%) linmin: converged after 4 iterations. iteration 352: trace = 2.429162569592486 (2.00542e-06% change) linmin: converged after 4 iterations. iteration 353: trace = 2.429162557390541 (5.02311e-07% change) large trace change predicted (1.57421e-06%) linmin: converged after 5 iterations. iteration 354: trace = 2.429162519148382 (1.57429e-06% change) linmin: converged after 3 iterations. iteration 355: trace = 2.429162484944936 (1.40803e-06% change) linmin: converged after 4 iterations. iteration 356: trace = 2.429162465378529 (8.0548e-07% change) large trace change predicted (2.28202e-06%) linmin: converged after 2 iterations. iteration 357: trace = 2.429162409942865 (2.28209e-06% change) linmin: converged after 2 iterations. iteration 358: trace = 2.429162367526182 (1.74614e-06% change) linmin: converged after 2 iterations. iteration 359: trace = 2.429162345366057 (9.12254e-07% change) linmin: converged after 12 iterations. iteration 360: trace = 2.429162302915946 (1.74752e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.429162258418778 (1.83179e-06% change) linmin: converged after 4 iterations. iteration 362: trace = 2.429162242135393 (6.70329e-07% change) large trace change predicted (3.1247e-06%) linmin: converged after 3 iterations. iteration 363: trace = 2.429162166225279 (3.12495e-06% change) linmin: converged after 14 iterations. iteration 364: trace = 2.429162090175937 (3.13068e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.429162046437575 (1.80055e-06% change) large trace change predicted (3.61815e-06%) linmin: converged after 3 iterations. iteration 366: trace = 2.429161958538209 (3.61851e-06% change) linmin: converged after 2 iterations. iteration 367: trace = 2.429161935554045 (9.46177e-07% change) large trace change predicted (3.17277e-06%) linmin: converged after 4 iterations. iteration 368: trace = 2.42916185847795 (3.17295e-06% change) linmin: converged after 25 iterations. iteration 369: trace = 2.429161832325048 (1.07662e-06% change) linmin: converged after 2 iterations. iteration 370: trace = 2.429161800898477 (1.29372e-06% change) linmin: converged after 5 iterations. iteration 371: trace = 2.429161793448693 (3.06681e-07% change) large trace change predicted (8.60569e-07%) linmin: converged after 3 iterations. iteration 372: trace = 2.429161772544361 (8.60557e-07% change) linmin: converged after 6 iterations. iteration 373: trace = 2.429161767674052 (2.00493e-07% change) large trace change predicted (4.8857e-07%) linmin: converged after 17 iterations. iteration 374: trace = 2.429161755806851 (4.88531e-07% change) linmin: converged after 10 iterations. iteration 375: trace = 2.429161733727773 (9.08918e-07% change) linmin: converged after 6 iterations. iteration 376: trace = 2.429161725983489 (3.18805e-07% change) large trace change predicted (8.60158e-07%) linmin: converged after 5 iterations. iteration 377: trace = 2.429161705091069 (8.60067e-07% change) linmin: converged after 23 iterations. iteration 378: trace = 2.429161673907243 (1.28373e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.429161663005327 (4.48793e-07% change) large trace change predicted (2.10243e-06%) linmin: converged after 3 iterations. iteration 380: trace = 2.429161611944832 (2.10198e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.429161574910249 (1.52458e-06% change) linmin: converged after 4 iterations. iteration 382: trace = 2.429161555587031 (7.95469e-07% change) linmin: converged after 5 iterations. iteration 383: trace = 2.429161528796099 (1.10289e-06% change) linmin: converged after 16 iterations. iteration 384: trace = 2.429161485856258 (1.76768e-06% change) linmin: converged after 8 iterations. iteration 385: trace = 2.429161473046592 (5.27329e-07% change) large trace change predicted (2.50467e-06%) linmin: converged after 4 iterations. iteration 386: trace = 2.429161412216528 (2.50416e-06% change) linmin: converged after 5 iterations. iteration 387: trace = 2.42916137653932 (1.4687e-06% change) linmin: converged after 18 iterations. iteration 388: trace = 2.429161362732226 (5.68389e-07% change) large trace change predicted (1.5348e-06%) linmin: converged after 7 iterations. iteration 389: trace = 2.429161325452276 (1.53468e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.429161303974856 (8.8415e-07% change) linmin: converged after 4 iterations. iteration 391: trace = 2.429161296799892 (2.95368e-07% change) large trace change predicted (1.00414e-06%) linmin: converged after 5 iterations. iteration 392: trace = 2.429161272407923 (1.00413e-06% change) linmin: converged after 8 iterations. iteration 393: trace = 2.429161263141295 (3.81474e-07% change) linmin: converged after 4 iterations. iteration 394: trace = 2.42916124557527 (7.23131e-07% change) linmin: converged after 4 iterations. iteration 395: trace = 2.429161231211534 (5.91304e-07% change) linmin: converged after 4 iterations. iteration 396: trace = 2.429161225501697 (2.35054e-07% change) linmin: converged after 7 iterations. iteration 397: trace = 2.429161215372486 (4.16984e-07% change) large trace change predicted (8.81063e-07%) linmin: converged after 2 iterations. iteration 398: trace = 2.429161193969775 (8.81074e-07% change) linmin: converged after 14 iterations. iteration 399: trace = 2.429161183655945 (4.24584e-07% change) linmin: converged after 4 iterations. iteration 400: trace = 2.429161163133875 (8.44821e-07% change) linmin: converged after 2 iterations. iteration 401: trace = 2.42916112293184 (1.65498e-06% change) linmin: converged after 4 iterations. iteration 402: trace = 2.429161112931281 (4.11688e-07% change) large trace change predicted (1.84317e-06%) linmin: converged after 4 iterations. iteration 403: trace = 2.429161068151696 (1.84342e-06% change) linmin: converged after 19 iterations. iteration 404: trace = 2.429161032172289 (1.48115e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.429161013375088 (7.73815e-07% change) large trace change predicted (1.71282e-06%) linmin: converged after 6 iterations. iteration 406: trace = 2.429160971764405 (1.71297e-06% change) linmin: converged after 5 iterations. iteration 407: trace = 2.429160926831248 (1.84974e-06% change) linmin: converged after 16 iterations. iteration 408: trace = 2.42916091885831 (3.28218e-07% change) large trace change predicted (1.17964e-06%) linmin: converged after 6 iterations. iteration 409: trace = 2.429160890200514 (1.17974e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.429160879255907 (4.50551e-07% change) linmin: converged after 9 iterations. iteration 411: trace = 2.429160869686783 (3.93927e-07% change) large trace change predicted (9.46779e-07%) linmin: converged after 8 iterations. iteration 412: trace = 2.429160846686931 (9.46823e-07% change) linmin: converged after 2 iterations. iteration 413: trace = 2.429160830862945 (6.51418e-07% change) linmin: converged after 19 iterations. iteration 414: trace = 2.429160823735306 (2.9342e-07% change) large trace change predicted (7.76593e-07%) linmin: converged after 9 iterations. iteration 415: trace = 2.429160804870454 (7.766e-07% change) linmin: converged after 29 iterations. iteration 416: trace = 2.429160799247497 (2.31477e-07% change) large trace change predicted (5.84551e-07%) linmin: converged after 2 iterations. iteration 417: trace = 2.429160785047829 (5.8455e-07% change) linmin: converged after 24 iterations. iteration 418: trace = 2.429160772850833 (5.02107e-07% change) linmin: converged after 15 iterations. iteration 419: trace = 2.429160756833683 (6.5937e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 420: trace = 2.429160743781561 (5.3731e-07% change) linmin: converged after 7 iterations. iteration 421: trace = 2.429160735234956 (3.51834e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160722351658 (5.3036e-07% change) linmin: converged after 5 iterations. iteration 423: trace = 2.42916071948775 (1.17897e-07% change) large trace change predicted (7.54883e-07%) linmin: converged after 11 iterations. iteration 424: trace = 2.429160701150761 (7.54869e-07% change) linmin: converged after 9 iterations. iteration 425: trace = 2.429160695283049 (2.41553e-07% change) linmin: converged after 3 iterations. iteration 426: trace = 2.429160683657345 (4.78589e-07% change) linmin: converged after 7 iterations. iteration 427: trace = 2.429160666288201 (7.15027e-07% change) linmin: converged after 10 iterations. iteration 428: trace = 2.429160662352488 (1.6202e-07% change) large trace change predicted (4.2091e-07%) linmin: converged after 7 iterations. iteration 429: trace = 2.429160652128212 (4.20897e-07% change) large trace change predicted (9.06972e-07%) linmin: converged after 12 iterations. iteration 430: trace = 2.429160630097719 (9.06918e-07% change) linmin: converged after 5 iterations. iteration 431: trace = 2.429160626066459 (1.65953e-07% change) large trace change predicted (1.11463e-06%) linmin: converged after 4 iterations. iteration 432: trace = 2.429160598992266 (1.11455e-06% change) linmin: converged after 5 iterations. iteration 433: trace = 2.429160583589252 (6.34088e-07% change) linmin: converged after 11 iterations. iteration 434: trace = 2.429160568103743 (6.37484e-07% change) linmin: converged after 13 iterations. iteration 435: trace = 2.429160545838467 (9.16583e-07% change) linmin: converged after 6 iterations. iteration 436: trace = 2.429160530945437 (6.13094e-07% change) linmin: converged after 9 iterations. iteration 437: trace = 2.429160516219629 (6.0621e-07% change) linmin: converged after 5 iterations. iteration 438: trace = 2.429160493303173 (9.4339e-07% change) linmin: converged after 4 iterations. iteration 439: trace = 2.42916048764713 (2.32839e-07% change) linmin: converged after 6 iterations. iteration 440: trace = 2.429160479461701 (3.36965e-07% change) linmin: converged after 6 iterations. iteration 441: trace = 2.429160469065506 (4.27975e-07% change) linmin: converged after 9 iterations. iteration 442: trace = 2.429160464268419 (1.97479e-07% change) linmin: converged after 5 iterations. iteration 443: trace = 2.42916046240984 (7.65112e-08% change) large trace change predicted (2.86973e-07%) linmin: converged after 7 iterations. iteration 444: trace = 2.429160455438765 (2.86975e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.429160449513919 (2.43905e-07% change) linmin: converged after 4 iterations. iteration 446: trace = 2.429160445837774 (1.51334e-07% change) large trace change predicted (3.4049e-07%) linmin: converged after 5 iterations. iteration 447: trace = 2.429160437566416 (3.40503e-07% change) linmin: converged after 5 iterations. iteration 448: trace = 2.429160432389953 (2.13097e-07% change) linmin: converged after 16 iterations. iteration 449: trace = 2.429160427257998 (2.11265e-07% change) large trace change predicted (6.01818e-07%) linmin: converged after 17 iterations. iteration 450: trace = 2.429160412638102 (6.0185e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.429160407522802 (2.10579e-07% change) large trace change predicted (4.92568e-07%) linmin: converged after 3 iterations. iteration 452: trace = 2.429160395556864 (4.92596e-07% change) linmin: converged after 11 iterations. iteration 453: trace = 2.429160376952114 (7.65892e-07% change) linmin: converged after 3 iterations. iteration 454: trace = 2.429160373180133 (1.55279e-07% change) large trace change predicted (7.26813e-07%) linmin: converged after 2 iterations. iteration 455: trace = 2.429160355523095 (7.26878e-07% change) linmin: converged after 5 iterations. iteration 456: trace = 2.429160345512355 (4.12107e-07% change) linmin: converged after 11 iterations. iteration 457: trace = 2.429160341465651 (1.66589e-07% change) large trace change predicted (3.90282e-07%) linmin: converged after 16 iterations. iteration 458: trace = 2.429160331984841 (3.90292e-07% change) linmin: converged after 4 iterations. iteration 459: trace = 2.429160319665668 (5.07137e-07% change) linmin: converged after 6 iterations. iteration 460: trace = 2.429160316536876 (1.28801e-07% change) large trace change predicted (4.57901e-07%) linmin: converged after 6 iterations. iteration 461: trace = 2.429160305413395 (4.57915e-07% change) linmin: converged after 11 iterations. iteration 462: trace = 2.429160303000206 (9.93425e-08% change) large trace change predicted (2.03031e-07%) linmin: converged after 4 iterations. iteration 463: trace = 2.429160298068233 (2.03032e-07% change) linmin: converged after 10 iterations. iteration 464: trace = 2.42916029273281 (2.19641e-07% change) linmin: converged after 12 iterations. iteration 465: trace = 2.429160290406088 (9.5783e-08% change) linmin: converged after 5 iterations. iteration 466: trace = 2.429160288260599 (8.83223e-08% change) linmin: converged after 6 iterations. iteration 467: trace = 2.429160283975522 (1.76402e-07% change) linmin: converged after 9 iterations. iteration 468: trace = 2.429160283037523 (3.86141e-08% change) large trace change predicted (2.42578e-07%) linmin: converged after 4 iterations. iteration 469: trace = 2.429160277144899 (2.42579e-07% change) linmin: converged after 17 iterations. iteration 470: trace = 2.429160270289409 (2.82216e-07% change) linmin: converged after 4 iterations. iteration 471: trace = 2.429160266292353 (1.64545e-07% change) large trace change predicted (3.30413e-07%) linmin: converged after 4 iterations. iteration 472: trace = 2.429160258265856 (3.30423e-07% change) large trace change predicted (9.2145e-07%) linmin: converged after 4 iterations. iteration 473: trace = 2.429160235883938 (9.21385e-07% change) linmin: converged after 3 iterations. iteration 474: trace = 2.429160231703436 (1.72097e-07% change) large trace change predicted (5.80079e-07%) linmin: converged after 30 iterations. iteration 475: trace = 2.42916021761301 (5.80053e-07% change) linmin: converged after 24 iterations. iteration 476: trace = 2.42916020312281 (5.96511e-07% change) linmin: converged after 6 iterations. iteration 477: trace = 2.429160198651777 (1.84057e-07% change) linmin: converged after 3 iterations. iteration 478: trace = 2.429160193923727 (1.94637e-07% change) linmin: converged after 4 iterations. iteration 479: trace = 2.429160185755691 (3.36249e-07% change) linmin: converged after 7 iterations. iteration 480: trace = 2.429160184038327 (7.06979e-08% change) large trace change predicted (2.99438e-07%) linmin: converged after 15 iterations. iteration 481: trace = 2.429160176764598 (2.99434e-07% change) linmin: converged after 4 iterations. iteration 482: trace = 2.429160170016508 (2.77795e-07% change) linmin: converged after 4 iterations. iteration 483: trace = 2.429160168369864 (6.77866e-08% change) large trace change predicted (1.69438e-07%) linmin: converged after 7 iterations. iteration 484: trace = 2.429160164253903 (1.6944e-07% change) linmin: converged after 8 iterations. iteration 485: trace = 2.429160158823647 (2.23545e-07% change) linmin: converged after 18 iterations. iteration 486: trace = 2.429160157433828 (5.7214e-08% change) large trace change predicted (2.31158e-07%) linmin: converged after 8 iterations. iteration 487: trace = 2.429160151818674 (2.31156e-07% change) linmin: converged after 4 iterations. iteration 488: trace = 2.429160150047635 (7.29075e-08% change) large trace change predicted (1.52334e-07%) linmin: converged after 15 iterations. iteration 489: trace = 2.429160146347282 (1.52331e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 490: trace = 2.429160143346882 (1.23516e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.429160142060279 (5.29649e-08% change) large trace change predicted (2.26845e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.429160136549821 (2.26846e-07% change) linmin: converged after 9 iterations. iteration 493: trace = 2.429160135365344 (4.87608e-08% change) large trace change predicted (1.57782e-07%) linmin: converged after 6 iterations. iteration 494: trace = 2.429160131532554 (1.57783e-07% change) linmin: converged after 5 iterations. iteration 495: trace = 2.429160127609372 (1.61504e-07% change) linmin: converged after 13 iterations. iteration 496: trace = 2.429160126301909 (5.38237e-08% change) large trace change predicted (2.63831e-07%) linmin: converged after 4 iterations. iteration 497: trace = 2.429160119893001 (2.63832e-07% change) linmin: converged after 10 iterations. iteration 498: trace = 2.429160115641033 (1.75039e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160113504779 (8.79421e-08% change) large trace change predicted (2.56447e-07%) linmin: converged after 4 iterations. iteration 500: trace = 2.429160107275186 (2.5645e-07% change) linmin: converged after 3 iterations. iteration 501: trace = 2.429160105164883 (8.68738e-08% change) linmin: converged after 7 iterations. iteration 502: trace = 2.429160101581947 (1.47497e-07% change) large trace change predicted (3.44652e-07%) linmin: converged after 4 iterations. iteration 503: trace = 2.429160093209604 (3.4466e-07% change) linmin: converged after 4 iterations. iteration 504: trace = 2.429160089648797 (1.46586e-07% change) linmin: converged after 4 iterations. iteration 505: trace = 2.429160082731394 (2.84765e-07% change) linmin: converged after 5 iterations. iteration 506: trace = 2.429160071654747 (4.55987e-07% change) linmin: converged after 7 iterations. iteration 507: trace = 2.429160069764019 (7.78347e-08% change) large trace change predicted (2.5624e-07%) linmin: converged after 4 iterations. iteration 508: trace = 2.429160063539506 (2.56241e-07% change) linmin: converged after 9 iterations. iteration 509: trace = 2.429160060376896 (1.30194e-07% change) linmin: converged after 4 iterations. iteration 510: trace = 2.429160059592331 (3.22978e-08% change) large trace change predicted (1.21953e-07%) linmin: converged after 4 iterations. iteration 511: trace = 2.429160056629897 (1.21953e-07% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160055292141 (5.50707e-08% change) linmin: converged after 3 iterations. iteration 513: trace = 2.429160054281912 (4.15876e-08% change) linmin: converged after 4 iterations. iteration 514: trace = 2.429160052699848 (6.5128e-08% change) linmin: converged after 6 iterations. iteration 515: trace = 2.429160050492572 (9.08658e-08% change) linmin: converged after 14 iterations. iteration 516: trace = 2.429160049637459 (3.5202e-08% change) large trace change predicted (8.7127e-08%) linmin: converged after 4 iterations. iteration 517: trace = 2.429160047521031 (8.71259e-08% change) linmin: converged after 7 iterations. iteration 518: trace = 2.429160043373834 (1.70726e-07% change) linmin: converged after 4 iterations. iteration 519: trace = 2.429160042210653 (4.78841e-08% change) large trace change predicted (2.21183e-07%) linmin: converged after 4 iterations. iteration 520: trace = 2.429160036838142 (2.21167e-07% change) linmin: converged after 17 iterations. iteration 521: trace = 2.429160033384842 (1.4216e-07% change) linmin: converged after 4 iterations. iteration 522: trace = 2.429160029598887 (1.55854e-07% change) linmin: converged after 7 iterations. iteration 523: trace = 2.429160027995061 (6.60239e-08% change) large trace change predicted (2.21268e-07%) linmin: converged after 7 iterations. iteration 524: trace = 2.429160022620529 (2.21251e-07% change) linmin: converged after 6 iterations. iteration 525: trace = 2.429160021098508 (6.26563e-08% change) large trace change predicted (2.39401e-07%) linmin: converged after 4 iterations. iteration 526: trace = 2.429160015283503 (2.39383e-07% change) linmin: converged after 4 iterations. iteration 527: trace = 2.429160011591928 (1.51969e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.429160010481056 (4.57307e-08% change) large trace change predicted (1.48306e-07%) linmin: converged after 7 iterations. iteration 529: trace = 2.429160006878608 (1.483e-07% change) linmin: converged after 7 iterations. iteration 530: trace = 2.42916000455437 (9.56808e-08% change) linmin: converged after 2 iterations. iteration 531: trace = 2.429160003435782 (4.60483e-08% change) large trace change predicted (9.21522e-08%) linmin: converged after 10 iterations. iteration 532: trace = 2.429160001197286 (9.2151e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.42915999963689 (6.4236e-08% change) linmin: converged after 12 iterations. iteration 534: trace = 2.429159998773397 (3.5547e-08% change) linmin: converged after 14 iterations. iteration 535: trace = 2.429159997831396 (3.87788e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429159996341378 (6.13388e-08% change) linmin: converged after 8 iterations. iteration 537: trace = 2.429159995670116 (2.76335e-08% change) large trace change predicted (9.30136e-08%) linmin: converged after 6 iterations. iteration 538: trace = 2.42915999341066 (9.30139e-08% change) linmin: converged after 4 iterations. iteration 539: trace = 2.429159992655187 (3.11002e-08% change) large trace change predicted (1.00737e-07%) linmin: converged after 13 iterations. iteration 540: trace = 2.429159990208109 (1.00738e-07% change) linmin: converged after 2 iterations. iteration 541: trace = 2.429159985777675 (1.82385e-07% change) linmin: converged after 4 iterations. iteration 542: trace = 2.429159984758821 (4.19426e-08% change) large trace change predicted (1.96187e-07%) linmin: converged after 20 iterations. iteration 543: trace = 2.42915997999289 (1.96197e-07% change) linmin: converged after 3 iterations. iteration 544: trace = 2.429159975942684 (1.66733e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.429159974127931 (7.4707e-08% change) linmin: converged after 6 iterations. iteration 546: trace = 2.429159970640271 (1.43575e-07% change) linmin: converged after 8 iterations. iteration 547: trace = 2.429159966332588 (1.77332e-07% change) linmin: converged after 4 iterations. iteration 548: trace = 2.429159965628255 (2.89949e-08% change) large trace change predicted (1.23504e-07%) linmin: converged after 14 iterations. iteration 549: trace = 2.429159962628108 (1.23506e-07% change) linmin: converged after 4 iterations. iteration 550: trace = 2.429159961014103 (6.64429e-08% change) linmin: converged after 4 iterations. iteration 551: trace = 2.429159960358727 (2.69795e-08% change) large trace change predicted (9.12922e-08%) linmin: converged after 3 iterations. iteration 552: trace = 2.429159958141078 (9.12929e-08% change) linmin: converged after 3 iterations. iteration 553: trace = 2.429159956679022 (6.01877e-08% change) linmin: converged after 3 iterations. iteration 554: trace = 2.429159956145543 (2.19615e-08% change) large trace change predicted (1.01848e-07%) linmin: converged after 4 iterations. iteration 555: trace = 2.429159953671486 (1.01848e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.429159952262492 (5.80033e-08% change) linmin: converged after 5 iterations. iteration 557: trace = 2.429159951810834 (1.85932e-08% change) large trace change predicted (4.45569e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.429159950728461 (4.45575e-08% change) large trace change predicted (2.09189e-07%) linmin: converged after 4 iterations. iteration 559: trace = 2.42915994564705 (2.09184e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159942621141 (1.24566e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159940694195 (7.93256e-08% change) linmin: converged after 4 iterations. iteration 562: trace = 2.429159940081627 (2.52173e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159939258497 (3.38854e-08% change) linmin: converged after 10 iterations. iteration 564: trace = 2.429159937961868 (5.33777e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159937622305 (1.39786e-08% change) large trace change predicted (7.34274e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.429159935838647 (7.3427e-08% change) linmin: converged after 4 iterations. iteration 567: trace = 2.42915993478617 (4.33268e-08% change) linmin: converged after 23 iterations. iteration 568: trace = 2.429159934367553 (1.7233e-08% change) large trace change predicted (7.03734e-08%) linmin: converged after 5 iterations. iteration 569: trace = 2.429159932658114 (7.03716e-08% change) linmin: converged after 7 iterations. iteration 570: trace = 2.429159931771859 (3.6484e-08% change) linmin: converged after 4 iterations. iteration 571: trace = 2.429159930972031 (3.29261e-08% change) large trace change predicted (6.95644e-08%) linmin: converged after 22 iterations. iteration 572: trace = 2.429159929282242 (6.95627e-08% change) linmin: converged after 5 iterations. iteration 573: trace = 2.429159926857826 (9.98047e-08% change) linmin: converged after 4 iterations. iteration 574: trace = 2.429159926004502 (3.51283e-08% change) large trace change predicted (1.09351e-07%) linmin: converged after 20 iterations. iteration 575: trace = 2.42915992334827 (1.09348e-07% change) linmin: converged after 6 iterations. iteration 576: trace = 2.429159921770554 (6.4949e-08% change) linmin: converged after 4 iterations. iteration 577: trace = 2.429159920598491 (4.82498e-08% change) large trace change predicted (1.08462e-07%) linmin: converged after 5 iterations. iteration 578: trace = 2.429159917963841 (1.08459e-07% change) linmin: converged after 7 iterations. iteration 579: trace = 2.429159917565192 (1.6411e-08% change) large trace change predicted (7.66225e-08%) linmin: converged after 15 iterations. iteration 580: trace = 2.429159915703913 (7.66223e-08% change) linmin: converged after 4 iterations. iteration 581: trace = 2.429159914953613 (3.08873e-08% change) linmin: converged after 22 iterations. iteration 582: trace = 2.429159914706383 (1.01776e-08% change) large trace change predicted (3.35733e-08%) linmin: converged after 21 iterations. iteration 583: trace = 2.429159913890834 (3.35733e-08% change) linmin: converged after 15 iterations. iteration 584: trace = 2.429159913372564 (2.13354e-08% change) linmin: converged after 4 iterations. iteration 585: trace = 2.429159913187743 (7.60843e-09% change) large trace change predicted (2.56994e-08%) linmin: converged after 13 iterations. iteration 586: trace = 2.429159912563461 (2.56995e-08% change) linmin: converged after 17 iterations. iteration 587: trace = 2.429159911849338 (2.93979e-08% change) linmin: converged after 9 iterations. iteration 588: trace = 2.429159911357447 (2.02494e-08% change) linmin: converged after 13 iterations. iteration 589: trace = 2.429159910415242 (3.87873e-08% change) linmin: converged after 6 iterations. iteration 590: trace = 2.429159909658968 (3.11332e-08% change) linmin: converged after 6 iterations. iteration 591: trace = 2.42915990928591 (1.53575e-08% change) large trace change predicted (5.53083e-08%) linmin: converged after 2 iterations. iteration 592: trace = 2.429159907942359 (5.53093e-08% change) linmin: converged after 4 iterations. iteration 593: trace = 2.429159906278949 (6.84768e-08% change) linmin: converged after 5 iterations. iteration 594: trace = 2.429159905448797 (3.41744e-08% change) large trace change predicted (7.09047e-08%) linmin: converged after 15 iterations. iteration 595: trace = 2.429159903726372 (7.09062e-08% change) linmin: converged after 4 iterations. iteration 596: trace = 2.429159903014483 (2.9306e-08% change) linmin: converged after 5 iterations. iteration 597: trace = 2.429159902212887 (3.29989e-08% change) linmin: converged after 6 iterations. iteration 598: trace = 2.429159900989136 (5.03775e-08% change) linmin: converged after 25 iterations. iteration 599: trace = 2.429159900326578 (2.72752e-08% change) linmin: converged after 8 iterations. iteration 600: trace = 2.429159899972292 (1.45847e-08% change) large trace change predicted (6.2957e-08%) linmin: converged after 8 iterations. iteration 601: trace = 2.429159898442945 (6.29579e-08% change) linmin: converged after 4 iterations. iteration 602: trace = 2.429159898097346 (1.42271e-08% change) linmin: converged after 4 iterations. iteration 603: trace = 2.429159897451522 (2.65863e-08% change) linmin: converged after 4 iterations. iteration 604: trace = 2.429159897054763 (1.63332e-08% change) linmin: converged after 12 iterations. iteration 605: trace = 2.429159896869972 (7.60721e-09% change) large trace change predicted (1.87045e-08%) linmin: converged after 14 iterations. iteration 606: trace = 2.429159896415613 (1.87044e-08% change) linmin: converged after 4 iterations. iteration 607: trace = 2.42915989611901 (1.22101e-08% change) linmin: converged after 4 iterations. iteration 608: trace = 2.429159895995339 (5.09111e-09% change) large trace change predicted (1.90899e-08%) linmin: converged after 4 iterations. iteration 609: trace = 2.429159895531614 (1.90899e-08% change) linmin: converged after 4 iterations. iteration 610: trace = 2.429159894822567 (2.9189e-08% change) linmin: converged after 21 iterations. iteration 611: trace = 2.429159894577575 (1.00855e-08% change) large trace change predicted (3.2976e-08%) linmin: converged after 22 iterations. iteration 612: trace = 2.42915989377653 (3.29762e-08% change) linmin: converged after 6 iterations. iteration 613: trace = 2.429159892472336 (5.36891e-08% change) linmin: converged after 4 iterations. iteration 614: trace = 2.429159892090199 (1.57312e-08% change) large trace change predicted (7.88102e-08%) linmin: converged after 8 iterations. iteration 615: trace = 2.429159890175805 (7.88089e-08% change) linmin: converged after 22 iterations. iteration 616: trace = 2.429159888731362 (5.94627e-08% change) linmin: converged after 9 iterations. iteration 617: trace = 2.429159888295513 (1.79423e-08% change) linmin: converged after 4 iterations. iteration 618: trace = 2.429159887600036 (2.86304e-08% change) linmin: converged after 17 iterations. iteration 619: trace = 2.429159886956423 (2.64953e-08% change) linmin: converged after 5 iterations. iteration 620: trace = 2.429159886654262 (1.24389e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159886054781 (2.46786e-08% change) linmin: converged after 4 iterations. iteration 622: trace = 2.429159885641572 (1.70103e-08% change) linmin: converged after 13 iterations. iteration 623: trace = 2.429159885285687 (1.46505e-08% change) large trace change predicted (3.32136e-08%) linmin: converged after 4 iterations. iteration 624: trace = 2.429159884478882 (3.32133e-08% change) linmin: converged after 5 iterations. iteration 625: trace = 2.429159884349278 (5.33537e-09% change) large trace change predicted (1.42001e-08%) linmin: converged after 11 iterations. iteration 626: trace = 2.429159884004338 (1.42e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159883462855 (2.2291e-08% change) linmin: converged after 3 iterations. iteration 628: trace = 2.429159883368923 (3.86685e-09% change) large trace change predicted (2.19031e-08%) linmin: converged after 3 iterations. iteration 629: trace = 2.429159882836861 (2.19031e-08% change) resetting CG direction... linmin: converged after 19 iterations. iteration 630: trace = 2.429159882569328 (1.10134e-08% change) linmin: converged after 2 iterations. iteration 631: trace = 2.429159882456748 (4.63449e-09% change) large trace change predicted (1.96184e-08%) linmin: converged after 3 iterations. iteration 632: trace = 2.429159881980188 (1.96183e-08% change) linmin: converged after 4 iterations. iteration 633: trace = 2.429159881688595 (1.20039e-08% change) linmin: converged after 15 iterations. iteration 634: trace = 2.429159881529143 (6.56408e-09% change) large trace change predicted (2.12877e-08%) linmin: converged after 4 iterations. iteration 635: trace = 2.42915988101203 (2.12877e-08% change) linmin: converged after 6 iterations. iteration 636: trace = 2.429159880548424 (1.9085e-08% change) linmin: converged after 18 iterations. iteration 637: trace = 2.429159880223597 (1.3372e-08% change) linmin: converged after 6 iterations. iteration 638: trace = 2.429159879756007 (1.92491e-08% change) linmin: converged after 6 iterations. iteration 639: trace = 2.429159879571526 (7.59443e-09% change) linmin: converged after 16 iterations. iteration 640: trace = 2.429159879234266 (1.38838e-08% change) linmin: converged after 5 iterations. iteration 641: trace = 2.429159878615845 (2.54582e-08% change) linmin: converged after 5 iterations. iteration 642: trace = 2.429159878440423 (7.2215e-09% change) large trace change predicted (3.49519e-08%) linmin: converged after 10 iterations. iteration 643: trace = 2.429159877591364 (3.49528e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159876927942 (2.73108e-08% change) linmin: converged after 8 iterations. iteration 645: trace = 2.429159876518348 (1.68615e-08% change) large trace change predicted (4.51923e-08%) linmin: converged after 17 iterations. iteration 646: trace = 2.429159875420527 (4.51934e-08% change) linmin: converged after 4 iterations. iteration 647: trace = 2.429159874993633 (1.75738e-08% change) linmin: converged after 17 iterations. iteration 648: trace = 2.42915987479795 (8.05558e-09% change) large trace change predicted (1.70256e-08%) linmin: converged after 4 iterations. iteration 649: trace = 2.429159874384366 (1.70258e-08% change) linmin: converged after 4 iterations. iteration 650: trace = 2.429159874193341 (7.86383e-09% change) linmin: converged after 6 iterations. iteration 651: trace = 2.42915987405882 (5.53773e-09% change) linmin: converged after 13 iterations. iteration 652: trace = 2.429159873862936 (8.06388e-09% change) linmin: converged after 16 iterations. iteration 653: trace = 2.429159873798152 (2.66692e-09% change) large trace change predicted (5.86848e-09%) linmin: converged after 20 iterations. iteration 654: trace = 2.429159873655599 (5.86839e-09% change) linmin: converged after 5 iterations. iteration 655: trace = 2.429159873404568 (1.03341e-08% change) linmin: converged after 8 iterations. iteration 656: trace = 2.429159873179972 (9.24583e-09% change) linmin: converged after 4 iterations. iteration 657: trace = 2.429159873093644 (3.5538e-09% change) large trace change predicted (2.08994e-08%) linmin: converged after 9 iterations. iteration 658: trace = 2.429159872585977 (2.08989e-08% change) linmin: converged after 7 iterations. iteration 659: trace = 2.429159872394028 (7.90189e-09% change) large trace change predicted (1.86311e-08%) linmin: converged after 7 iterations. iteration 660: trace = 2.429159871941457 (1.86307e-08% change) linmin: converged after 5 iterations. iteration 661: trace = 2.429159871625497 (1.3007e-08% change) linmin: converged after 4 iterations. iteration 662: trace = 2.429159871174433 (1.85687e-08% change) linmin: converged after 21 iterations. iteration 663: trace = 2.429159871061795 (4.63691e-09% change) large trace change predicted (2.26678e-08%) linmin: converged after 8 iterations. iteration 664: trace = 2.429159870511171 (2.26673e-08% change) linmin: converged after 4 iterations. iteration 665: trace = 2.429159870238391 (1.12294e-08% change) linmin: converged after 4 iterations. iteration 666: trace = 2.429159869731298 (2.08752e-08% change) linmin: converged after 4 iterations. iteration 667: trace = 2.429159869338862 (1.61552e-08% change) linmin: converged after 5 iterations. iteration 668: trace = 2.429159869081951 (1.05761e-08% change) linmin: converged after 9 iterations. iteration 669: trace = 2.429159868950294 (5.41984e-09% change) linmin: converged after 14 iterations. iteration 670: trace = 2.429159868736181 (8.81429e-09% change) linmin: converged after 4 iterations. iteration 671: trace = 2.429159868578087 (6.50818e-09% change) linmin: converged after 3 iterations. iteration 672: trace = 2.429159868426453 (6.24225e-09% change) linmin: converged after 9 iterations. iteration 673: trace = 2.4291598681827 (1.00345e-08% change) linmin: converged after 4 iterations. iteration 674: trace = 2.429159868116325 (2.73242e-09% change) linmin: converged after 23 iterations. iteration 675: trace = 2.429159867997514 (4.89102e-09% change) linmin: converged after 6 iterations. iteration 676: trace = 2.429159867873943 (5.08698e-09% change) linmin: converged after 6 iterations. iteration 677: trace = 2.429159867805863 (2.80261e-09% change) large trace change predicted (8.93749e-09%) linmin: converged after 15 iterations. iteration 678: trace = 2.429159867588757 (8.93751e-09% change) linmin: converged after 2 iterations. iteration 679: trace = 2.429159867328811 (1.07011e-08% change) linmin: converged after 25 iterations. iteration 680: trace = 2.429159867220695 (4.45075e-09% change) large trace change predicted (1.70694e-08%) linmin: converged after 4 iterations. iteration 681: trace = 2.429159866806048 (1.70696e-08% change) linmin: converged after 13 iterations. iteration 682: trace = 2.429159866443257 (1.49348e-08% change) linmin: converged after 7 iterations. iteration 683: trace = 2.429159866255213 (7.7411e-09% change) large trace change predicted (1.66572e-08%) linmin: converged after 11 iterations. iteration 684: trace = 2.429159865850582 (1.66572e-08% change) linmin: converged after 11 iterations. iteration 685: trace = 2.429159865371538 (1.97206e-08% change) linmin: converged after 26 iterations. iteration 686: trace = 2.429159865285051 (3.56038e-09% change) large trace change predicted (1.56803e-08%) linmin: converged after 4 iterations. iteration 687: trace = 2.429159864904145 (1.56805e-08% change) linmin: converged after 28 iterations. iteration 688: trace = 2.429159864742815 (6.64139e-09% change) linmin: converged after 17 iterations. iteration 689: trace = 2.429159864569038 (7.15381e-09% change) linmin: converged after 9 iterations. iteration 690: trace = 2.429159864381906 (7.70355e-09% change) linmin: converged after 13 iterations. iteration 691: trace = 2.429159864284447 (4.01206e-09% change) linmin: converged after 6 iterations. iteration 692: trace = 2.429159864121662 (6.70128e-09% change) linmin: converged after 5 iterations. iteration 693: trace = 2.42915986398943 (5.44355e-09% change) linmin: converged after 3 iterations. iteration 694: trace = 2.429159863791235 (8.15897e-09% change) linmin: converged after 6 iterations. iteration 695: trace = 2.42915986372955 (2.53937e-09% change) large trace change predicted (7.44625e-09%) linmin: converged after 5 iterations. iteration 696: trace = 2.429159863548667 (7.44631e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.429159863495337 (2.19542e-09% change) large trace change predicted (4.95411e-09%) linmin: converged after 9 iterations. iteration 698: trace = 2.429159863374994 (4.95409e-09% change) large trace change predicted (3.53174e-08%) linmin: converged after 13 iterations. iteration 699: trace = 2.429159862517076 (3.53175e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.429159862252571 (1.08887e-08% change) linmin: converged after 9 iterations. iteration 701: trace = 2.429159861778018 (1.95357e-08% change) linmin: converged after 15 iterations. iteration 702: trace = 2.42915986164391 (5.52073e-09% change) linmin: converged after 21 iterations. iteration 703: trace = 2.429159861597236 (1.92143e-09% change) large trace change predicted (4.07034e-09%) linmin: converged after 8 iterations. iteration 704: trace = 2.429159861498362 (4.07029e-09% change) linmin: converged after 4 iterations. iteration 705: trace = 2.429159861398499 (4.11102e-09% change) linmin: converged after 7 iterations. iteration 706: trace = 2.429159861336225 (2.56357e-09% change) linmin: converged after 4 iterations. iteration 707: trace = 2.429159861220219 (4.77559e-09% change) linmin: converged after 22 iterations. iteration 708: trace = 2.429159861134873 (3.51338e-09% change) linmin: converged after 17 iterations. iteration 709: trace = 2.429159861038768 (3.95632e-09% change) linmin: converged after 26 iterations. iteration 710: trace = 2.429159860920694 (4.86067e-09% change) linmin: converged after 11 iterations. iteration 711: trace = 2.429159860836389 (3.47056e-09% change) linmin: converged after 4 iterations. iteration 712: trace = 2.429159860760177 (3.13736e-09% change) large trace change predicted (8.4712e-09%) linmin: converged after 4 iterations. iteration 713: trace = 2.429159860554408 (8.47081e-09% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159860514231 (1.65392e-09% change) large trace change predicted (1.27506e-08%) linmin: converged after 4 iterations. iteration 715: trace = 2.429159860204506 (1.27503e-08% change) linmin: converged after 12 iterations. iteration 716: trace = 2.429159860025552 (7.3669e-09% change) linmin: converged after 7 iterations. iteration 717: trace = 2.42915985993167 (3.8648e-09% change) large trace change predicted (7.94021e-09%) linmin: converged after 10 iterations. iteration 718: trace = 2.42915985973879 (7.94021e-09% change) linmin: converged after 4 iterations. iteration 719: trace = 2.429159859575599 (6.71797e-09% change) linmin: converged after 3 iterations. iteration 720: trace = 2.429159859516666 (2.4261e-09% change) large trace change predicted (5.10148e-09%) linmin: converged after 6 iterations. iteration 721: trace = 2.429159859392743 (5.10144e-09% change) linmin: converged after 3 iterations. iteration 722: trace = 2.429159859317725 (3.08826e-09% change) linmin: converged after 16 iterations. iteration 723: trace = 2.429159859260646 (2.34973e-09% change) linmin: converged after 12 iterations. iteration 724: trace = 2.429159859209811 (2.09271e-09% change) linmin: converged after 8 iterations. iteration 725: trace = 2.42915985916478 (1.85377e-09% change) linmin: converged after 10 iterations. iteration 726: trace = 2.429159859141747 (9.48175e-10% change) large trace change predicted (3.36707e-09%) linmin: converged after 20 iterations. iteration 727: trace = 2.429159859059956 (3.36703e-09% change) linmin: converged after 26 iterations. iteration 728: trace = 2.429159858978682 (3.34579e-09% change) linmin: converged after 17 iterations. iteration 729: trace = 2.429159858960734 (7.38832e-10% change) large trace change predicted (3.62151e-09%) linmin: converged after 23 iterations. iteration 730: trace = 2.429159858872767 (3.62131e-09% change) linmin: converged after 5 iterations. iteration 731: trace = 2.429159858776025 (3.98254e-09% change) linmin: converged after 17 iterations. iteration 732: trace = 2.429159858690858 (3.50601e-09% change) linmin: converged after 4 iterations. iteration 733: trace = 2.429159858629005 (2.5463e-09% change) large trace change predicted (6.43946e-09%) linmin: converged after 4 iterations. iteration 734: trace = 2.429159858472582 (6.43936e-09% change) linmin: converged after 15 iterations. iteration 735: trace = 2.429159858407342 (2.68571e-09% change) large trace change predicted (6.01645e-09%) linmin: converged after 4 iterations. iteration 736: trace = 2.429159858261189 (6.01662e-09% change) linmin: converged after 4 iterations. iteration 737: trace = 2.429159858115409 (6.00123e-09% change) linmin: converged after 12 iterations. iteration 738: trace = 2.429159858076999 (1.58121e-09% change) linmin: converged after 6 iterations. iteration 739: trace = 2.429159858026211 (2.09076e-09% change) large trace change predicted (5.00746e-09%) linmin: converged after 15 iterations. iteration 740: trace = 2.429159857904574 (5.00737e-09% change) linmin: converged after 11 iterations. iteration 741: trace = 2.429159857882525 (9.07681e-10% change) large trace change predicted (4.63002e-09%) linmin: converged after 17 iterations. iteration 742: trace = 2.429159857770053 (4.63009e-09% change) linmin: converged after 3 iterations. iteration 743: trace = 2.429159857722359 (1.96341e-09% change) linmin: converged after 12 iterations. iteration 744: trace = 2.429159857699687 (9.3333e-10% change) large trace change predicted (2.3863e-09%) linmin: converged after 5 iterations. iteration 745: trace = 2.429159857641714 (2.38652e-09% change) linmin: converged after 3 iterations. iteration 746: trace = 2.42915985761325 (1.17178e-09% change) linmin: converged after 13 iterations. iteration 747: trace = 2.429159857600397 (5.29106e-10% change) large trace change predicted (1.53282e-09%) linmin: converged after 15 iterations. iteration 748: trace = 2.429159857563163 (1.53278e-09% change) linmin: converged after 4 iterations. iteration 749: trace = 2.429159857531549 (1.30145e-09% change) linmin: converged after 27 iterations. iteration 750: trace = 2.429159857499798 (1.30708e-09% change) large trace change predicted (2.79275e-09%) linmin: converged after 13 iterations. iteration 751: trace = 2.429159857431958 (2.79275e-09% change) linmin: converged after 30 iterations. iteration 752: trace = 2.429159857406514 (1.04743e-09% change) large trace change predicted (3.47461e-09%) linmin: converged after 16 iterations. iteration 753: trace = 2.429159857322113 (3.47451e-09% change) linmin: converged after 27 iterations. iteration 754: trace = 2.429159857188842 (5.48629e-09% change) linmin: converged after 15 iterations. iteration 755: trace = 2.429159857052411 (5.6164e-09% change) linmin: converged after 10 iterations. iteration 756: trace = 2.429159857003117 (2.02924e-09% change) large trace change predicted (5.0026e-09%) linmin: converged after 17 iterations. iteration 757: trace = 2.429159856881596 (5.00261e-09% change) linmin: converged after 19 iterations. iteration 758: trace = 2.429159856791348 (3.71517e-09% change) linmin: converged after 14 iterations. iteration 759: trace = 2.429159856770062 (8.76273e-10% change) large trace change predicted (2.70342e-09%) linmin: converged after 3 iterations. iteration 760: trace = 2.429159856704395 (2.7033e-09% change) linmin: converged after 8 iterations. iteration 761: trace = 2.429159856662185 (1.73761e-09% change) linmin: converged after 8 iterations. iteration 762: trace = 2.429159856647663 (5.97826e-10% change) large trace change predicted (3.0867e-09%) linmin: converged after 24 iterations. iteration 763: trace = 2.429159856572679 (3.08683e-09% change) linmin: converged after 5 iterations. iteration 764: trace = 2.429159856534262 (1.58149e-09% change) linmin: converged after 12 iterations. iteration 765: trace = 2.429159856501544 (1.3469e-09% change) linmin: converged after 15 iterations. iteration 766: trace = 2.42915985646642 (1.44595e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.429159856415598 (2.09216e-09% change) linmin: converged after 29 iterations. iteration 768: trace = 2.429159856403247 (5.08448e-10% change) linmin: converged after 13 iterations. iteration 769: trace = 2.429159856380329 (9.4344e-10% change) resetting CG direction... linmin: converged after 26 iterations. iteration 770: trace = 2.429159856362283 (7.42909e-10% change) linmin: converged after 21 iterations. iteration 771: trace = 2.429159856350529 (4.83859e-10% change) large trace change predicted (1.84355e-09%) linmin: converged after 3 iterations. iteration 772: trace = 2.429159856305741 (1.84375e-09% change) linmin: converged after 5 iterations. iteration 773: trace = 2.429159856283472 (9.16767e-10% change) linmin: converged after 26 iterations. iteration 774: trace = 2.429159856264355 (7.8695e-10% change) large trace change predicted (2.07837e-09%) linmin: converged after 12 iterations. iteration 775: trace = 2.429159856213858 (2.07878e-09% change) linmin: converged after 19 iterations. iteration 776: trace = 2.429159856203312 (4.3417e-10% change) large trace change predicted (2.50015e-09%) linmin: converged after 6 iterations. iteration 777: trace = 2.429159856142582 (2.50001e-09% change) linmin: converged after 4 iterations. iteration 778: trace = 2.429159856106925 (1.4679e-09% change) linmin: converged after 7 iterations. iteration 779: trace = 2.429159856081485 (1.04726e-09% change) linmin: converged after 18 iterations. iteration 780: trace = 2.429159856042586 (1.60132e-09% change) linmin: converged after 25 iterations. iteration 781: trace = 2.429159855980037 (2.57494e-09% change) linmin: converged after 4 iterations. iteration 782: trace = 2.429159855962069 (7.39673e-10% change) large trace change predicted (3.08826e-09%) linmin: converged after 10 iterations. iteration 783: trace = 2.429159855887052 (3.08818e-09% change) linmin: converged after 24 iterations. iteration 784: trace = 2.429159855809875 (3.1771e-09% change) linmin: converged after 10 iterations. iteration 785: trace = 2.42915985578455 (1.04254e-09% change) large trace change predicted (3.29541e-09%) linmin: converged after 27 iterations. iteration 786: trace = 2.429159855704499 (3.29544e-09% change) linmin: converged after 5 iterations. iteration 787: trace = 2.429159855662839 (1.715e-09% change) linmin: converged after 2 iterations. iteration 788: trace = 2.429159855648466 (5.91666e-10% change) large trace change predicted (1.48382e-09%) linmin: converged after 4 iterations. iteration 789: trace = 2.429159855612423 (1.48377e-09% change) linmin: converged after 4 iterations. iteration 790: trace = 2.429159855597262 (6.24115e-10% change) linmin: converged after 2 iterations. iteration 791: trace = 2.429159855581672 (6.41775e-10% change) linmin: converged after 8 iterations. iteration 792: trace = 2.429159855561396 (8.34719e-10% change) linmin: converged after 5 iterations. iteration 793: trace = 2.429159855556473 (2.0267e-10% change) large trace change predicted (5.164e-10%) linmin: converged after 3 iterations. iteration 794: trace = 2.429159855543927 (5.16473e-10% change) linmin: converged after 22 iterations. iteration 795: trace = 2.429159855519861 (9.9068e-10% change) linmin: converged after 12 iterations. iteration 796: trace = 2.429159855505447 (5.93384e-10% change) linmin: converged after 7 iterations. iteration 797: trace = 2.429159855489357 (6.62361e-10% change) large trace change predicted (2.1029e-09%) linmin: converged after 7 iterations. iteration 798: trace = 2.429159855438274 (2.10291e-09% change) linmin: converged after 8 iterations. iteration 799: trace = 2.429159855397065 (1.69646e-09% change) linmin: converged after 13 iterations. iteration 800: trace = 2.429159855375285 (8.96584e-10% change) linmin: converged after 7 iterations. iteration 801: trace = 2.429159855349206 (1.07357e-09% change) large trace change predicted (2.23996e-09%) linmin: converged after 6 iterations. iteration 802: trace = 2.429159855294793 (2.24001e-09% change) linmin: converged after 15 iterations. iteration 803: trace = 2.429159855280952 (5.69801e-10% change) large trace change predicted (2.01906e-09%) linmin: converged after 6 iterations. iteration 804: trace = 2.42915985523191 (2.01889e-09% change) linmin: converged after 13 iterations. iteration 805: trace = 2.429159855187781 (1.81662e-09% change) linmin: converged after 10 iterations. iteration 806: trace = 2.429159855173268 (5.97424e-10% change) large trace change predicted (1.45403e-09%) linmin: converged after 4 iterations. iteration 807: trace = 2.429159855137949 (1.45399e-09% change) linmin: converged after 4 iterations. iteration 808: trace = 2.429159855110013 (1.15e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855092852 (7.06474e-10% change) linmin: converged after 5 iterations. iteration 810: trace = 2.429159855078127 (6.06163e-10% change) linmin: converged after 15 iterations. iteration 811: trace = 2.42915985505887 (7.92745e-10% change) linmin: converged after 15 iterations. iteration 812: trace = 2.429159855053902 (2.04535e-10% change) large trace change predicted (8.17768e-10%) linmin: converged after 24 iterations. iteration 813: trace = 2.429159855034033 (8.17919e-10% change) linmin: converged after 5 iterations. iteration 814: trace = 2.429159855024618 (3.87588e-10% change) linmin: converged after 11 iterations. iteration 815: trace = 2.429159855017927 (2.75431e-10% change) linmin: converged after 10 iterations. iteration 816: trace = 2.429159855005852 (4.97113e-10% change) large trace change predicted (1.01356e-09%) linmin: converged after 19 iterations. iteration 817: trace = 2.429159854981223 (1.01388e-09% change) linmin: converged after 8 iterations. iteration 818: trace = 2.429159854973959 (2.99014e-10% change) large trace change predicted (1.27695e-09%) linmin: converged after 3 iterations. iteration 819: trace = 2.429159854942935 (1.27715e-09% change) linmin: converged after 13 iterations. iteration 820: trace = 2.429159854908495 (1.41777e-09% change) linmin: converged after 3 iterations. iteration 821: trace = 2.429159854898678 (4.04133e-10% change) large trace change predicted (1.59237e-09%) linmin: converged after 4 iterations. iteration 822: trace = 2.429159854859998 (1.59233e-09% change) linmin: converged after 5 iterations. iteration 823: trace = 2.429159854830622 (1.20933e-09% change) linmin: converged after 9 iterations. iteration 824: trace = 2.429159854815108 (6.38631e-10% change) large trace change predicted (2.23524e-09%) linmin: converged after 7 iterations. iteration 825: trace = 2.429159854760814 (2.23511e-09% change) linmin: converged after 6 iterations. iteration 826: trace = 2.429159854750707 (4.16089e-10% change) large trace change predicted (1.14462e-09%) linmin: converged after 20 iterations. iteration 827: trace = 2.429159854722901 (1.14467e-09% change) linmin: converged after 28 iterations. iteration 828: trace = 2.429159854705499 (7.16364e-10% change) linmin: converged after 8 iterations. iteration 829: trace = 2.429159854687132 (7.56127e-10% change) linmin: converged after 3 iterations. iteration 830: trace = 2.429159854681363 (2.3746e-10% change) large trace change predicted (8.96991e-10%) linmin: converged after 5 iterations. iteration 831: trace = 2.429159854659572 (8.9706e-10% change) linmin: converged after 16 iterations. iteration 832: trace = 2.429159854648396 (4.60093e-10% change) linmin: converged after 9 iterations. iteration 833: trace = 2.429159854642833 (2.28995e-10% change) large trace change predicted (7.32548e-10%) linmin: converged after 20 iterations. iteration 834: trace = 2.429159854625036 (7.32653e-10% change) linmin: converged after 4 iterations. iteration 835: trace = 2.429159854621086 (1.62597e-10% change) large trace change predicted (6.82109e-10%) linmin: converged after 12 iterations. iteration 836: trace = 2.42915985460452 (6.81977e-10% change) linmin: converged after 5 iterations. iteration 837: trace = 2.429159854582111 (9.22489e-10% change) linmin: converged after 14 iterations. iteration 838: trace = 2.42915985456747 (6.02726e-10% change) large trace change predicted (1.96799e-09%) linmin: converged after 4 iterations. iteration 839: trace = 2.429159854519665 (1.96798e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 840: trace = 2.429159854479173 (1.6669e-09% change) linmin: converged after 2 iterations. iteration 841: trace = 2.429159854467961 (4.61555e-10% change) linmin: converged after 10 iterations. iteration 842: trace = 2.429159854449965 (7.40825e-10% change) linmin: converged after 18 iterations. iteration 843: trace = 2.429159854435525 (5.94444e-10% change) linmin: converged after 4 iterations. iteration 844: trace = 2.42915985443168 (1.583e-10% change) large trace change predicted (5.91506e-10%) linmin: converged after 6 iterations. iteration 845: trace = 2.429159854417308 (5.91629e-10% change) linmin: converged after 23 iterations. iteration 846: trace = 2.429159854412158 (2.1203e-10% change) linmin: converged after 14 iterations. iteration 847: trace = 2.429159854405683 (2.66527e-10% change) linmin: converged after 16 iterations. iteration 848: trace = 2.429159854395 (4.398e-10% change) linmin: converged after 19 iterations. iteration 849: trace = 2.429159854388849 (2.53218e-10% change) linmin: converged after 9 iterations. iteration 850: trace = 2.429159854379881 (3.6916e-10% change) linmin: converged after 4 iterations. iteration 851: trace = 2.429159854368271 (4.77954e-10% change) linmin: converged after 16 iterations. iteration 852: trace = 2.429159854364779 (1.43748e-10% change) large trace change predicted (8.97457e-10%) linmin: converged after 5 iterations. iteration 853: trace = 2.429159854342979 (8.97444e-10% change) linmin: converged after 13 iterations. iteration 854: trace = 2.429159854334358 (3.54901e-10% change) large trace change predicted (1.01262e-09%) linmin: converged after 8 iterations. iteration 855: trace = 2.429159854309756 (1.01276e-09% change) linmin: converged after 11 iterations. iteration 856: trace = 2.429159854293526 (6.68138e-10% change) linmin: converged after 17 iterations. iteration 857: trace = 2.429159854273718 (8.15432e-10% change) linmin: converged after 9 iterations. iteration 858: trace = 2.429159854268173 (2.28264e-10% change) large trace change predicted (6.62828e-10%) linmin: converged after 11 iterations. iteration 859: trace = 2.429159854252069 (6.62927e-10% change) linmin: converged after 6 iterations. iteration 860: trace = 2.429159854238129 (5.73896e-10% change) linmin: converged after 6 iterations. iteration 861: trace = 2.429159854235225 (1.19543e-10% change) large trace change predicted (5.0393e-10%) linmin: converged after 3 iterations. iteration 862: trace = 2.429159854222989 (5.03713e-10% change) linmin: converged after 4 iterations. iteration 863: trace = 2.429159854219471 (1.44827e-10% change) linmin: converged after 3 iterations. iteration 864: trace = 2.429159854216725 (1.13017e-10% change) large trace change predicted (2.76424e-10%) linmin: converged after 6 iterations. iteration 865: trace = 2.429159854210012 (2.76345e-10% change) linmin: converged after 10 iterations. iteration 866: trace = 2.429159854208046 (8.09509e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 33.71888303756714 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380065375189 (3.19206% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814012471656 (0.435158% change) linmin: converged after 4 iterations. iteration 3: trace = 2.41043647082268 (0.512183% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737451719182 (0.236711% change) linmin: converged after 4 iterations. iteration 5: trace = 2.40292139348864 (0.0755485% change) linmin: converged after 3 iterations. iteration 6: trace = 2.401560301261758 (0.0566593% change) linmin: converged after 3 iterations. iteration 7: trace = 2.401273551821266 (0.0119408% change) large trace change predicted (0.0255598%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660370584768 (0.0255389% change) linmin: converged after 7 iterations. iteration 9: trace = 2.400394159523677 (0.0110897% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303474033407 (0.00377801% change) linmin: converged after 4 iterations. iteration 11: trace = 2.400130102636148 (0.00722316% change) linmin: converged after 4 iterations. iteration 12: trace = 2.40000836547053 (0.00507224% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912535719419 (0.00399297% change) large trace change predicted (0.0102618%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666137115813 (0.0102675% change) linmin: converged after 4 iterations. iteration 15: trace = 2.399556825246868 (0.0045554% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371874088446 (0.00770802% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289074363439 (0.00345095% change) large trace change predicted (0.00782435%) linmin: converged after 4 iterations. iteration 18: trace = 2.3991013176507 (0.00782582% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879683242867 (0.00923865% change) linmin: converged after 3 iterations. iteration 20: trace = 2.39864983646696 (0.00958188% change) large trace change predicted (0.0239388%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075391102676 (0.0239516% change) linmin: converged after 4 iterations. iteration 22: trace = 2.397887160772127 (0.00784953% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522322129944 (0.0152162% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397282034127145 (0.0100228% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981244756081 (0.0125479% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715869265042 (0.0110719% change) linmin: converged after 4 iterations. iteration 27: trace = 2.39661861096203 (0.00405806% change) large trace change predicted (0.00900796%) linmin: converged after 4 iterations. iteration 28: trace = 2.396402841073872 (0.0090035% change) linmin: converged after 5 iterations. iteration 29: trace = 2.39634922772154 (0.00223727% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256421501076 (0.00387289% change) linmin: converged after 5 iterations. iteration 31: trace = 2.396207699154743 (0.00203329% change) linmin: converged after 3 iterations. iteration 32: trace = 2.396167636373913 (0.00167194% change) large trace change predicted (0.00396464%) linmin: converged after 9 iterations. iteration 33: trace = 2.396072643953667 (0.00396443% change) linmin: converged after 3 iterations. iteration 34: trace = 2.396038780823427 (0.00141329% change) large trace change predicted (0.00652227%) linmin: converged after 3 iterations. iteration 35: trace = 2.395882559737598 (0.00652019% change) linmin: converged after 4 iterations. iteration 36: trace = 2.395832748915663 (0.00207904% change) large trace change predicted (0.00897305%) linmin: converged after 3 iterations. iteration 37: trace = 2.395617780390952 (0.008973% change) linmin: converged after 4 iterations. iteration 38: trace = 2.39553418296655 (0.00348966% change) large trace change predicted (0.00706014%) linmin: converged after 4 iterations. iteration 39: trace = 2.39536501333913 (0.00706212% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395256381303382 (0.0045352% change) linmin: converged after 4 iterations. iteration 41: trace = 2.395086697808079 (0.0070844% change) linmin: converged after 4 iterations. iteration 42: trace = 2.395028598961684 (0.00242578% change) large trace change predicted (0.00634113%) linmin: converged after 4 iterations. iteration 43: trace = 2.39487666954758 (0.00634373% change) linmin: converged after 4 iterations. iteration 44: trace = 2.394824113423559 (0.00219455% change) large trace change predicted (0.00784332%) linmin: converged after 4 iterations. iteration 45: trace = 2.394636268025265 (0.00784412% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394552267466387 (0.00350792% change) large trace change predicted (0.00731432%) linmin: converged after 4 iterations. iteration 47: trace = 2.394376991122509 (0.00732006% change) linmin: converged after 4 iterations. iteration 48: trace = 2.394320828130498 (0.00234565% change) large trace change predicted (0.00691407%) linmin: converged after 4 iterations. iteration 49: trace = 2.394155253916157 (0.00691553% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120898929791 (0.00143496% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082892521414 (0.0015875% change) linmin: converged after 6 iterations. iteration 52: trace = 2.394061990460526 (0.000873076% change) linmin: converged after 8 iterations. iteration 53: trace = 2.394036139424459 (0.0010798% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025569065591 (0.00044153% change) large trace change predicted (0.00105504%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000302147974 (0.00105542% change) linmin: converged after 12 iterations. iteration 56: trace = 2.393990208523064 (0.000421623% change) large trace change predicted (0.00146481%) linmin: converged after 4 iterations. iteration 57: trace = 2.39395514394269 (0.0014647% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941599284174 (0.000565787% change) large trace change predicted (0.00231129%) linmin: converged after 4 iterations. iteration 59: trace = 2.393886265628582 (0.00231143% change) linmin: converged after 3 iterations. iteration 60: trace = 2.393858668573332 (0.00115282% change) large trace change predicted (0.00356541%) linmin: converged after 5 iterations. iteration 61: trace = 2.393773380971115 (0.00356283% change) linmin: converged after 3 iterations. iteration 62: trace = 2.393674996574534 (0.0041101% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605767121845 (0.00289222% change) linmin: converged after 4 iterations. iteration 64: trace = 2.393491615026334 (0.00476916% change) linmin: converged after 7 iterations. iteration 65: trace = 2.393448495125738 (0.00180156% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393406154469259 (0.00176904% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393389055552442 (0.00071442% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359918326792 (0.00121741% change) linmin: converged after 5 iterations. iteration 69: trace = 2.393349087201017 (0.00045255% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393344312581961 (0.000199496% change) linmin: converged after 7 iterations. iteration 71: trace = 2.393336804089752 (0.000313724% change) linmin: converged after 4 iterations. iteration 72: trace = 2.393333970633868 (0.000118389% change) linmin: converged after 3 iterations. iteration 73: trace = 2.393329676245754 (0.000179431% change) large trace change predicted (0.000418429%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319661728988 (0.000418435% change) linmin: converged after 5 iterations. iteration 75: trace = 2.393316565654328 (0.000129363% change) large trace change predicted (0.000453321%) linmin: converged after 4 iterations. iteration 76: trace = 2.393305716086053 (0.000453329% change) linmin: converged after 3 iterations. iteration 77: trace = 2.393298659905521 (0.00029483% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393292266248708 (0.000267149% change) linmin: converged after 4 iterations. iteration 79: trace = 2.393282440533751 (0.000410553% change) linmin: converged after 3 iterations. iteration 80: trace = 2.393278082620458 (0.00018209% change) large trace change predicted (0.000407036%) linmin: converged after 4 iterations. iteration 81: trace = 2.393268338855684 (0.000407131% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393258302305203 (0.000419367% change) large trace change predicted (0.000867865%) linmin: converged after 4 iterations. iteration 83: trace = 2.393237533376291 (0.000867814% change) linmin: converged after 3 iterations. iteration 84: trace = 2.39322904508425 (0.000354679% change) large trace change predicted (0.00100187%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205063468088 (0.00100207% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393196938859396 (0.000339487% change) linmin: converged after 4 iterations. iteration 87: trace = 2.393183981958217 (0.000541407% change) linmin: converged after 4 iterations. iteration 88: trace = 2.393179403853021 (0.000191298% change) linmin: converged after 5 iterations. iteration 89: trace = 2.393170909317681 (0.000354948% change) linmin: converged after 4 iterations. iteration 90: trace = 2.39316911792516 (7.48544e-05% change) large trace change predicted (0.000173647%) linmin: converged after 4 iterations. iteration 91: trace = 2.393164962027431 (0.000173657% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163105512311 (7.75758e-05% change) linmin: converged after 4 iterations. iteration 93: trace = 2.39316187440703 (5.14426e-05% change) linmin: converged after 3 iterations. iteration 94: trace = 2.393159824920828 (8.56393e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 2.393158830671426 (4.15455e-05% change) large trace change predicted (0.000111545%) linmin: converged after 4 iterations. iteration 96: trace = 2.393156160963402 (0.000111556% change) linmin: converged after 4 iterations. iteration 97: trace = 2.39315506084746 (4.59693e-05% change) large trace change predicted (9.9991e-05%) linmin: converged after 12 iterations. iteration 98: trace = 2.393152667917031 (9.99907e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 2.393150139363221 (0.000105658% change) linmin: converged after 3 iterations. iteration 100: trace = 2.393148763271612 (5.75013e-05% change) large trace change predicted (0.000161138%) linmin: converged after 4 iterations. iteration 101: trace = 2.393144906541856 (0.000161157% change) linmin: converged after 4 iterations. iteration 102: trace = 2.393143524364654 (5.77557e-05% change) large trace change predicted (0.000134414%) linmin: converged after 3 iterations. iteration 103: trace = 2.393140308134353 (0.000134394% change) linmin: converged after 4 iterations. iteration 104: trace = 2.393137816835159 (0.000104102% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393135182384877 (0.000110084% change) linmin: converged after 4 iterations. iteration 106: trace = 2.393131421241457 (0.000157164% change) linmin: converged after 3 iterations. iteration 107: trace = 2.393129841164439 (6.60255e-05% change) large trace change predicted (0.000206425%) linmin: converged after 3 iterations. iteration 108: trace = 2.393124901844831 (0.000206396% change) linmin: converged after 4 iterations. iteration 109: trace = 2.393122977545364 (8.04095e-05% change) large trace change predicted (0.000253471%) linmin: converged after 2 iterations. iteration 110: trace = 2.393116911216493 (0.00025349% change) linmin: converged after 3 iterations. iteration 111: trace = 2.393113264772712 (0.000152372% change) linmin: converged after 3 iterations. iteration 112: trace = 2.393109593480216 (0.000153411% change) linmin: converged after 5 iterations. iteration 113: trace = 2.39310539113333 (0.000175602% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393102782502317 (0.000109006% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393098290626697 (0.000187701% change) linmin: converged after 4 iterations. iteration 116: trace = 2.393096870085285 (5.93599e-05% change) large trace change predicted (0.000170805%) linmin: converged after 3 iterations. iteration 117: trace = 2.393092783197313 (0.000170778% change) linmin: converged after 5 iterations. iteration 118: trace = 2.393091596037884 (4.96078e-05% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393089612033036 (8.29055e-05% change) linmin: converged after 5 iterations. iteration 120: trace = 2.393088413119482 (5.0099e-05% change) linmin: converged after 4 iterations. iteration 121: trace = 2.393087897738819 (2.15362e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 2.393087304752636 (2.47791e-05% change) linmin: converged after 2 iterations. iteration 123: trace = 2.393086973287176 (1.3851e-05% change) large trace change predicted (3.72193e-05%) linmin: converged after 2 iterations. iteration 124: trace = 2.393086082499872 (3.72234e-05% change) linmin: converged after 2 iterations. iteration 125: trace = 2.393085864592967 (9.10569e-06% change) large trace change predicted (5.0066e-05%) linmin: converged after 2 iterations. iteration 126: trace = 2.39308466642937 (5.00677e-05% change) linmin: converged after 3 iterations. iteration 127: trace = 2.393083902377725 (3.19275e-05% change) large trace change predicted (8.66981e-05%) linmin: converged after 3 iterations. iteration 128: trace = 2.393081827263885 (8.6713e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 2.393080566784859 (5.26718e-05% change) large trace change predicted (0.000156695%) linmin: converged after 2 iterations. iteration 130: trace = 2.393076816828933 (0.0001567% change) linmin: converged after 7 iterations. iteration 131: trace = 2.393075281230309 (6.41684e-05% change) large trace change predicted (0.000139412%) linmin: converged after 3 iterations. iteration 132: trace = 2.393071945070328 (0.000139409% change) linmin: converged after 4 iterations. iteration 133: trace = 2.393070253407828 (7.069e-05% change) linmin: converged after 4 iterations. iteration 134: trace = 2.393068574485512 (7.01577e-05% change) linmin: converged after 13 iterations. iteration 135: trace = 2.393067397345229 (4.91896e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.393066341777011 (4.41094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 2.393065404590389 (3.91626e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 2.393064868802067 (2.23892e-05% change) linmin: converged after 4 iterations. iteration 139: trace = 2.393064078375646 (3.30299e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 2.393063723853291 (1.48146e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393063367914109 (1.48738e-05% change) linmin: converged after 2 iterations. iteration 142: trace = 2.393062835338766 (2.2255e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 2.393062648539849 (7.80585e-06% change) large trace change predicted (2.17295e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393062128513526 (2.17306e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.393061607578782 (2.17685e-05% change) linmin: converged after 9 iterations. iteration 146: trace = 2.39306130509583 (1.264e-05% change) large trace change predicted (3.04979e-05%) linmin: converged after 4 iterations. iteration 147: trace = 2.393060575285408 (3.04969e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393060381555188 (8.0955e-06% change) large trace change predicted (2.11448e-05%) linmin: converged after 4 iterations. iteration 149: trace = 2.3930598755617 (2.11442e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.393059369070603 (2.1165e-05% change) linmin: converged after 12 iterations. iteration 151: trace = 2.393059137535997 (9.67526e-06% change) large trace change predicted (5.71139e-05%) linmin: converged after 3 iterations. iteration 152: trace = 2.39305777080014 (5.71125e-05% change) linmin: converged after 2 iterations. iteration 153: trace = 2.39305739633257 (1.56481e-05% change) large trace change predicted (7.24511e-05%) linmin: converged after 2 iterations. iteration 154: trace = 2.393055662480975 (7.24534e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 2.393054706804075 (3.99354e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393053798081912 (3.79733e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393052883558681 (3.82157e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.393052599096907 (1.1887e-05% change) linmin: converged after 20 iterations. iteration 159: trace = 2.393052213332979 (1.61202e-05% change) linmin: converged after 3 iterations. iteration 160: trace = 2.393051920224135 (1.22483e-05% change) linmin: converged after 4 iterations. iteration 161: trace = 2.393051842491256 (3.24827e-06% change) large trace change predicted (1.00155e-05%) linmin: converged after 4 iterations. iteration 162: trace = 2.393051602822989 (1.00152e-05% change) linmin: converged after 24 iterations. iteration 163: trace = 2.39305139967704 (8.48899e-06% change) linmin: converged after 2 iterations. iteration 164: trace = 2.393051300952183 (4.12548e-06% change) large trace change predicted (1.56003e-05%) linmin: converged after 4 iterations. iteration 165: trace = 2.39305092764681 (1.55996e-05% change) linmin: converged after 3 iterations. iteration 166: trace = 2.393050573980522 (1.47789e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.393050346711982 (9.49702e-06% change) large trace change predicted (1.9685e-05%) linmin: converged after 7 iterations. iteration 168: trace = 2.393049875644527 (1.96848e-05% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393049716071878 (6.66817e-06% change) large trace change predicted (1.56484e-05%) linmin: converged after 2 iterations. iteration 170: trace = 2.393049341590759 (1.56487e-05% change) linmin: converged after 15 iterations. iteration 171: trace = 2.393049003712434 (1.41192e-05% change) linmin: converged after 4 iterations. iteration 172: trace = 2.393048537964996 (1.94625e-05% change) linmin: converged after 5 iterations. iteration 173: trace = 2.393047881355802 (2.74382e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393047736071906 (6.07108e-06% change) large trace change predicted (2.86633e-05%) linmin: converged after 3 iterations. iteration 175: trace = 2.39304705015134 (2.86631e-05% change) linmin: converged after 3 iterations. iteration 176: trace = 2.393046869283602 (7.55805e-06% change) large trace change predicted (1.5602e-05%) linmin: converged after 2 iterations. iteration 177: trace = 2.393046495917025 (1.56021e-05% change) linmin: converged after 2 iterations. iteration 178: trace = 2.393046184064706 (1.30316e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.393046095643826 (3.69491e-06% change) large trace change predicted (7.92874e-06%) linmin: converged after 6 iterations. iteration 180: trace = 2.393045905908352 (7.92862e-06% change) linmin: converged after 17 iterations. iteration 181: trace = 2.393045834163176 (2.99807e-06% change) linmin: converged after 3 iterations. iteration 182: trace = 2.393045758067711 (3.17986e-06% change) linmin: converged after 4 iterations. iteration 183: trace = 2.393045682758831 (3.14699e-06% change) linmin: converged after 2 iterations. iteration 184: trace = 2.393045637461655 (1.89287e-06% change) large trace change predicted (4.64328e-06%) linmin: converged after 13 iterations. iteration 185: trace = 2.393045526346322 (4.64326e-06% change) linmin: converged after 2 iterations. iteration 186: trace = 2.393045374286588 (6.35424e-06% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393045128120026 (1.02867e-05% change) linmin: converged after 8 iterations. iteration 188: trace = 2.393044772021168 (1.48806e-05% change) linmin: converged after 15 iterations. iteration 189: trace = 2.39304448059265 (1.21781e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.39304407802514 (1.68224e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.393043965284865 (4.71117e-06% change) large trace change predicted (9.74701e-06%) linmin: converged after 2 iterations. iteration 192: trace = 2.393043732033682 (9.74705e-06% change) linmin: converged after 7 iterations. iteration 193: trace = 2.393043612744624 (4.98483e-06% change) linmin: converged after 2 iterations. iteration 194: trace = 2.393043531190869 (3.40795e-06% change) linmin: converged after 24 iterations. iteration 195: trace = 2.393043383312526 (6.17951e-06% change) linmin: converged after 18 iterations. iteration 196: trace = 2.39304332223628 (2.55224e-06% change) large trace change predicted (6.79794e-06%) linmin: converged after 5 iterations. iteration 197: trace = 2.393043159562507 (6.79778e-06% change) linmin: converged after 9 iterations. iteration 198: trace = 2.393043115956103 (1.82222e-06% change) linmin: converged after 2 iterations. iteration 199: trace = 2.393043078912169 (1.54798e-06% change) large trace change predicted (3.45223e-06%) linmin: converged after 3 iterations. iteration 200: trace = 2.393042996300743 (3.45215e-06% change) linmin: converged after 4 iterations. iteration 201: trace = 2.39304296756672 (1.20073e-06% change) large trace change predicted (3.47443e-06%) linmin: converged after 2 iterations. iteration 202: trace = 2.393042884421646 (3.47445e-06% change) linmin: converged after 5 iterations. iteration 203: trace = 2.393042855723326 (1.19924e-06% change) large trace change predicted (2.8589e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393042787307601 (2.85894e-06% change) linmin: converged after 8 iterations. iteration 205: trace = 2.393042691832329 (3.9897e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042599415255 (3.86191e-06% change) large trace change predicted (1.88356e-05%) linmin: converged after 2 iterations. iteration 207: trace = 2.393042148661108 (1.8836e-05% change) linmin: converged after 3 iterations. iteration 208: trace = 2.393042044373464 (4.35795e-06% change) large trace change predicted (1.46895e-05%) linmin: converged after 2 iterations. iteration 209: trace = 2.393041692844312 (1.46896e-05% change) resetting CG direction... linmin: converged after 21 iterations. iteration 210: trace = 2.393041609068997 (3.50079e-06% change) linmin: converged after 2 iterations. iteration 211: trace = 2.393041511537021 (4.07565e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393041388568872 (5.13857e-06% change) linmin: converged after 2 iterations. iteration 213: trace = 2.393041347525703 (1.7151e-06% change) linmin: converged after 7 iterations. iteration 214: trace = 2.393041290918132 (2.36551e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.393041264259863 (1.11399e-06% change) linmin: converged after 5 iterations. iteration 216: trace = 2.393041250747902 (5.64636e-07% change) linmin: converged after 2 iterations. iteration 217: trace = 2.393041226668218 (1.00624e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.39304122077532 (2.46251e-07% change) large trace change predicted (6.41709e-07%) linmin: converged after 4 iterations. iteration 219: trace = 2.393041205418894 (6.41712e-07% change) linmin: converged after 9 iterations. iteration 220: trace = 2.393041188884745 (6.90926e-07% change) linmin: converged after 27 iterations. iteration 221: trace = 2.393041182545501 (2.64903e-07% change) large trace change predicted (1.06604e-06%) linmin: converged after 6 iterations. iteration 222: trace = 2.393041157034923 (1.06603e-06% change) linmin: converged after 16 iterations. iteration 223: trace = 2.393041147167996 (4.12317e-07% change) linmin: converged after 6 iterations. iteration 224: trace = 2.393041133237278 (5.82134e-07% change) linmin: converged after 2 iterations. iteration 225: trace = 2.393041122274155 (4.58125e-07% change) linmin: converged after 3 iterations. iteration 226: trace = 2.3930411137657 (3.5555e-07% change) large trace change predicted (1.16513e-06%) linmin: converged after 2 iterations. iteration 227: trace = 2.39304108588347 (1.16514e-06% change) linmin: converged after 6 iterations. iteration 228: trace = 2.393041053903406 (1.33638e-06% change) linmin: converged after 7 iterations. iteration 229: trace = 2.393041019986422 (1.41732e-06% change) large trace change predicted (3.35496e-06%) linmin: converged after 6 iterations. iteration 230: trace = 2.393040939701664 (3.35493e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.393040907309698 (1.35359e-06% change) linmin: converged after 2 iterations. iteration 232: trace = 2.393040859837703 (1.98375e-06% change) linmin: converged after 3 iterations. iteration 233: trace = 2.393040828789088 (1.29745e-06% change) linmin: converged after 21 iterations. iteration 234: trace = 2.393040808897746 (8.31216e-07% change) linmin: converged after 4 iterations. iteration 235: trace = 2.393040792171642 (6.98948e-07% change) linmin: converged after 4 iterations. iteration 236: trace = 2.393040786897322 (2.20402e-07% change) large trace change predicted (5.17608e-07%) linmin: converged after 4 iterations. iteration 237: trace = 2.393040774510819 (5.17605e-07% change) linmin: converged after 3 iterations. iteration 238: trace = 2.393040769583201 (2.05914e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 2.393040761593058 (3.33891e-07% change) linmin: converged after 3 iterations. iteration 240: trace = 2.393040748073287 (5.64962e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393040740401189 (3.206e-07% change) large trace change predicted (1.33877e-06%) linmin: converged after 3 iterations. iteration 242: trace = 2.393040708364214 (1.33876e-06% change) linmin: converged after 2 iterations. iteration 243: trace = 2.393040682378393 (1.08589e-06% change) linmin: converged after 16 iterations. iteration 244: trace = 2.393040652892741 (1.23214e-06% change) linmin: converged after 2 iterations. iteration 245: trace = 2.393040620294641 (1.3622e-06% change) linmin: converged after 3 iterations. iteration 246: trace = 2.393040599550539 (8.66851e-07% change) large trace change predicted (2.22054e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.393040546411556 (2.22056e-06% change) linmin: converged after 5 iterations. iteration 248: trace = 2.393040509999726 (1.52157e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.39304047843454 (1.31904e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040452330299 (1.09084e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.393040438512748 (5.77406e-07% change) linmin: converged after 2 iterations. iteration 252: trace = 2.393040418095979 (8.53173e-07% change) linmin: converged after 16 iterations. iteration 253: trace = 2.393040407648191 (4.36591e-07% change) large trace change predicted (1.05249e-06%) linmin: converged after 9 iterations. iteration 254: trace = 2.393040382461753 (1.05249e-06% change) linmin: converged after 2 iterations. iteration 255: trace = 2.393040364989508 (7.30127e-07% change) linmin: converged after 4 iterations. iteration 256: trace = 2.393040357888954 (2.96717e-07% change) linmin: converged after 4 iterations. iteration 257: trace = 2.393040346166743 (4.89846e-07% change) linmin: converged after 4 iterations. iteration 258: trace = 2.393040342746701 (1.42916e-07% change) large trace change predicted (3.52787e-07%) linmin: converged after 2 iterations. iteration 259: trace = 2.393040334304367 (3.52787e-07% change) linmin: converged after 2 iterations. iteration 260: trace = 2.393040321448571 (5.37216e-07% change) linmin: converged after 3 iterations. iteration 261: trace = 2.393040312640444 (3.68073e-07% change) large trace change predicted (1.86867e-06%) linmin: converged after 2 iterations. iteration 262: trace = 2.393040267922228 (1.86868e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.39304025386445 (5.87444e-07% change) large trace change predicted (1.88081e-06%) linmin: converged after 17 iterations. iteration 264: trace = 2.393040208856187 (1.8808e-06% change) linmin: converged after 2 iterations. iteration 265: trace = 2.393040180300157 (1.1933e-06% change) linmin: converged after 3 iterations. iteration 266: trace = 2.393040145402565 (1.4583e-06% change) linmin: converged after 12 iterations. iteration 267: trace = 2.393040112547672 (1.37294e-06% change) linmin: converged after 3 iterations. iteration 268: trace = 2.393040100277974 (5.12724e-07% change) large trace change predicted (1.52629e-06%) linmin: converged after 2 iterations. iteration 269: trace = 2.393040063753092 (1.5263e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.393040057476163 (2.62299e-07% change) large trace change predicted (1.08203e-06%) linmin: converged after 2 iterations. iteration 271: trace = 2.393040031582675 (1.08203e-06% change) linmin: converged after 3 iterations. iteration 272: trace = 2.3930400197316 (4.95231e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.393040004207614 (6.48714e-07% change) linmin: converged after 2 iterations. iteration 274: trace = 2.393039983063047 (8.83586e-07% change) linmin: converged after 3 iterations. iteration 275: trace = 2.39303997581635 (3.02824e-07% change) large trace change predicted (7.0926e-07%) linmin: converged after 8 iterations. iteration 276: trace = 2.393039958843548 (7.09257e-07% change) linmin: converged after 4 iterations. iteration 277: trace = 2.393039954403972 (1.8552e-07% change) large trace change predicted (3.84916e-07%) linmin: converged after 4 iterations. iteration 278: trace = 2.393039945192819 (3.84914e-07% change) linmin: converged after 6 iterations. iteration 279: trace = 2.393039941388275 (1.58984e-07% change) resetting CG direction... linmin: converged after 8 iterations. iteration 280: trace = 2.393039937734682 (1.52676e-07% change) linmin: converged after 9 iterations. iteration 281: trace = 2.393039934013784 (1.55488e-07% change) large trace change predicted (3.74824e-07%) linmin: converged after 10 iterations. iteration 282: trace = 2.393039925044072 (3.74825e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.39303992020822 (2.0208e-07% change) large trace change predicted (5.08524e-07%) linmin: converged after 2 iterations. iteration 284: trace = 2.393039908038985 (5.08526e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039890254656 (7.43169e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393039881623722 (3.60668e-07% change) large trace change predicted (8.72518e-07%) linmin: converged after 6 iterations. iteration 287: trace = 2.393039860744147 (8.72513e-07% change) linmin: converged after 4 iterations. iteration 288: trace = 2.393039854790627 (2.48785e-07% change) linmin: converged after 3 iterations. iteration 289: trace = 2.393039843249722 (4.8227e-07% change) linmin: converged after 2 iterations. iteration 290: trace = 2.393039824469559 (7.84783e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039817698484 (2.82949e-07% change) large trace change predicted (9.17679e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.393039795738015 (9.17681e-07% change) linmin: converged after 24 iterations. iteration 293: trace = 2.393039790210655 (2.30977e-07% change) large trace change predicted (6.89013e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.393039773722292 (6.89013e-07% change) linmin: converged after 5 iterations. iteration 295: trace = 2.393039763915341 (4.09811e-07% change) linmin: converged after 16 iterations. iteration 296: trace = 2.393039756348877 (3.16186e-07% change) linmin: converged after 2 iterations. iteration 297: trace = 2.393039743044764 (5.5595e-07% change) linmin: converged after 3 iterations. iteration 298: trace = 2.393039740902501 (8.95206e-08% change) large trace change predicted (2.45714e-07%) linmin: converged after 18 iterations. iteration 299: trace = 2.393039735022488 (2.45713e-07% change) linmin: converged after 3 iterations. iteration 300: trace = 2.393039733206974 (7.58665e-08% change) linmin: converged after 3 iterations. iteration 301: trace = 2.393039730394027 (1.17547e-07% change) linmin: converged after 6 iterations. iteration 302: trace = 2.393039727529962 (1.19683e-07% change) linmin: converged after 2 iterations. iteration 303: trace = 2.393039726091691 (6.01023e-08% change) large trace change predicted (1.84678e-07%) linmin: converged after 28 iterations. iteration 304: trace = 2.393039721672304 (1.84677e-07% change) linmin: converged after 20 iterations. iteration 305: trace = 2.393039719730806 (8.11311e-08% change) large trace change predicted (2.00248e-07%) linmin: converged after 3 iterations. iteration 306: trace = 2.393039714938806 (2.00247e-07% change) linmin: converged after 3 iterations. iteration 307: trace = 2.393039710543892 (1.83654e-07% change) linmin: converged after 2 iterations. iteration 308: trace = 2.393039704489578 (2.52997e-07% change) linmin: converged after 3 iterations. iteration 309: trace = 2.393039695382158 (3.8058e-07% change) linmin: converged after 23 iterations. iteration 310: trace = 2.393039690655598 (1.97513e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.393039682038444 (3.60092e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039677933756 (1.71526e-07% change) large trace change predicted (3.48203e-07%) linmin: converged after 3 iterations. iteration 313: trace = 2.393039669601128 (3.48203e-07% change) linmin: converged after 3 iterations. iteration 314: trace = 2.393039665791433 (1.59199e-07% change) linmin: converged after 2 iterations. iteration 315: trace = 2.393039658812033 (2.91654e-07% change) linmin: converged after 4 iterations. iteration 316: trace = 2.393039654556422 (1.77833e-07% change) linmin: converged after 15 iterations. iteration 317: trace = 2.393039650729858 (1.59904e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.393039645365247 (2.24176e-07% change) linmin: converged after 27 iterations. iteration 319: trace = 2.393039643323665 (8.53133e-08% change) linmin: converged after 2 iterations. iteration 320: trace = 2.393039641478752 (7.7095e-08% change) linmin: converged after 4 iterations. iteration 321: trace = 2.393039639893549 (6.62422e-08% change) linmin: converged after 22 iterations. iteration 322: trace = 2.39303963915282 (3.09535e-08% change) linmin: converged after 2 iterations. iteration 323: trace = 2.393039637711734 (6.02199e-08% change) linmin: converged after 3 iterations. iteration 324: trace = 2.393039637154594 (2.32817e-08% change) large trace change predicted (5.24332e-08%) linmin: converged after 2 iterations. iteration 325: trace = 2.393039635899849 (5.24331e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.393039635341721 (2.3323e-08% change) large trace change predicted (1.04488e-07%) linmin: converged after 25 iterations. iteration 327: trace = 2.393039632841283 (1.04488e-07% change) linmin: converged after 4 iterations. iteration 328: trace = 2.393039631785045 (4.41379e-08% change) large trace change predicted (2.11475e-07%) linmin: converged after 4 iterations. iteration 329: trace = 2.393039626724439 (2.11472e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.393039623020613 (1.54775e-07% change) linmin: converged after 2 iterations. iteration 331: trace = 2.393039617087131 (2.47947e-07% change) linmin: converged after 18 iterations. iteration 332: trace = 2.393039612704922 (1.83123e-07% change) linmin: converged after 6 iterations. iteration 333: trace = 2.393039605285896 (3.10025e-07% change) linmin: converged after 35 iterations. iteration 334: trace = 2.393039602451588 (1.1844e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.393039598126819 (1.80723e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039595435716 (1.12455e-07% change) linmin: converged after 2 iterations. iteration 337: trace = 2.393039593936774 (6.26376e-08% change) linmin: converged after 16 iterations. iteration 338: trace = 2.39303959283023 (4.62401e-08% change) linmin: converged after 2 iterations. iteration 339: trace = 2.393039591392979 (6.00597e-08% change) linmin: converged after 6 iterations. iteration 340: trace = 2.393039590553765 (3.5069e-08% change) linmin: converged after 4 iterations. iteration 341: trace = 2.39303958953332 (4.26422e-08% change) linmin: converged after 4 iterations. iteration 342: trace = 2.393039588782623 (3.137e-08% change) linmin: converged after 2 iterations. iteration 343: trace = 2.393039587731498 (4.39243e-08% change) linmin: converged after 4 iterations. iteration 344: trace = 2.393039586794606 (3.91507e-08% change) linmin: converged after 4 iterations. iteration 345: trace = 2.39303958581721 (4.08433e-08% change) linmin: converged after 2 iterations. iteration 346: trace = 2.393039584487148 (5.55804e-08% change) linmin: converged after 3 iterations. iteration 347: trace = 2.393039583222157 (5.28613e-08% change) linmin: converged after 2 iterations. iteration 348: trace = 2.393039582004263 (5.08932e-08% change) linmin: converged after 2 iterations. iteration 349: trace = 2.393039580291366 (7.15783e-08% change) resetting CG direction... linmin: converged after 2 iterations. iteration 350: trace = 2.393039579487041 (3.3611e-08% change) large trace change predicted (6.85849e-08%) linmin: converged after 3 iterations. iteration 351: trace = 2.39303957784578 (6.85848e-08% change) linmin: converged after 3 iterations. iteration 352: trace = 2.393039577414052 (1.8041e-08% change) large trace change predicted (5.66619e-08%) linmin: converged after 2 iterations. iteration 353: trace = 2.393039576058109 (5.6662e-08% change) linmin: converged after 2 iterations. iteration 354: trace = 2.393039574873117 (4.95183e-08% change) linmin: converged after 4 iterations. iteration 355: trace = 2.393039574276719 (2.49222e-08% change) large trace change predicted (8.52139e-08%) linmin: converged after 2 iterations. iteration 356: trace = 2.393039572237516 (8.52139e-08% change) linmin: converged after 6 iterations. iteration 357: trace = 2.39303957095546 (5.35744e-08% change) linmin: converged after 4 iterations. iteration 358: trace = 2.393039569509193 (6.04364e-08% change) linmin: converged after 4 iterations. iteration 359: trace = 2.393039567970518 (6.42979e-08% change) linmin: converged after 9 iterations. iteration 360: trace = 2.393039567393618 (2.41074e-08% change) large trace change predicted (7.10922e-08%) linmin: converged after 2 iterations. iteration 361: trace = 2.39303956569235 (7.10924e-08% change) linmin: converged after 4 iterations. iteration 362: trace = 2.393039564436714 (5.24703e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.393039562580601 (7.7563e-08% change) linmin: converged after 2 iterations. iteration 364: trace = 2.393039560009924 (1.07423e-07% change) linmin: converged after 4 iterations. iteration 365: trace = 2.393039556281883 (1.55787e-07% change) linmin: converged after 2 iterations. iteration 366: trace = 2.393039553024028 (1.36139e-07% change) linmin: converged after 2 iterations. iteration 367: trace = 2.393039550043816 (1.24537e-07% change) linmin: converged after 4 iterations. iteration 368: trace = 2.393039547599959 (1.02124e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039545704673 (7.91999e-08% change) linmin: converged after 4 iterations. iteration 370: trace = 2.393039544291541 (5.90518e-08% change) linmin: converged after 8 iterations. iteration 371: trace = 2.39303954292548 (5.70848e-08% change) linmin: converged after 4 iterations. iteration 372: trace = 2.393039542285578 (2.67401e-08% change) linmin: converged after 2 iterations. iteration 373: trace = 2.393039541103585 (4.93929e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039540802747 (1.25714e-08% change) large trace change predicted (3.78947e-08%) linmin: converged after 3 iterations. iteration 375: trace = 2.39303953989591 (3.78948e-08% change) linmin: converged after 3 iterations. iteration 376: trace = 2.393039539573345 (1.34793e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.393039538990177 (2.43693e-08% change) linmin: converged after 3 iterations. iteration 378: trace = 2.393039538470903 (2.16993e-08% change) linmin: converged after 3 iterations. iteration 379: trace = 2.393039537521414 (3.96771e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039536860427 (2.76212e-08% change) linmin: converged after 3 iterations. iteration 381: trace = 2.393039535869194 (4.14215e-08% change) linmin: converged after 3 iterations. iteration 382: trace = 2.393039534116065 (7.32595e-08% change) linmin: converged after 3 iterations. iteration 383: trace = 2.393039532943265 (4.90088e-08% change) large trace change predicted (1.14169e-07%) linmin: converged after 2 iterations. iteration 384: trace = 2.393039530211166 (1.14169e-07% change) linmin: converged after 3 iterations. iteration 385: trace = 2.393039528095931 (8.83911e-08% change) linmin: converged after 3 iterations. iteration 386: trace = 2.393039525738481 (9.85128e-08% change) linmin: converged after 23 iterations. iteration 387: trace = 2.393039522862146 (1.20196e-07% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039521185105 (7.00799e-08% change) linmin: converged after 4 iterations. iteration 389: trace = 2.393039518539639 (1.10548e-07% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039517171356 (5.71776e-08% change) large trace change predicted (1.1782e-07%) linmin: converged after 4 iterations. iteration 391: trace = 2.39303951435186 (1.17821e-07% change) linmin: converged after 3 iterations. iteration 392: trace = 2.393039513347995 (4.19494e-08% change) large trace change predicted (8.79293e-08%) linmin: converged after 2 iterations. iteration 393: trace = 2.393039511243809 (8.79295e-08% change) linmin: converged after 16 iterations. iteration 394: trace = 2.393039510439712 (3.36015e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.393039509167404 (5.3167e-08% change) linmin: converged after 3 iterations. iteration 396: trace = 2.39303950860697 (2.34193e-08% change) linmin: converged after 3 iterations. iteration 397: trace = 2.393039507957867 (2.71246e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.393039507390044 (2.37281e-08% change) linmin: converged after 11 iterations. iteration 399: trace = 2.393039506926334 (1.93774e-08% change) linmin: converged after 3 iterations. iteration 400: trace = 2.393039506261817 (2.77688e-08% change) linmin: converged after 4 iterations. iteration 401: trace = 2.393039505504559 (3.16442e-08% change) linmin: converged after 3 iterations. iteration 402: trace = 2.393039504368669 (4.74664e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.393039503622926 (3.1163e-08% change) large trace change predicted (8.26167e-08%) linmin: converged after 2 iterations. iteration 404: trace = 2.39303950164587 (8.2617e-08% change) linmin: converged after 2 iterations. iteration 405: trace = 2.393039499831826 (7.5805e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039497629723 (9.20212e-08% change) linmin: converged after 2 iterations. iteration 407: trace = 2.393039493742363 (1.62444e-07% change) linmin: converged after 4 iterations. iteration 408: trace = 2.393039492398732 (5.61475e-08% change) linmin: converged after 2 iterations. iteration 409: trace = 2.393039489928963 (1.03206e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.393039488737378 (4.97938e-08% change) linmin: converged after 2 iterations. iteration 411: trace = 2.393039486436941 (9.61303e-08% change) linmin: converged after 24 iterations. iteration 412: trace = 2.393039485958074 (2.00108e-08% change) large trace change predicted (7.53192e-08%) linmin: converged after 2 iterations. iteration 413: trace = 2.393039484155658 (7.53191e-08% change) linmin: converged after 4 iterations. iteration 414: trace = 2.393039483467286 (2.87656e-08% change) linmin: converged after 3 iterations. iteration 415: trace = 2.393039482168694 (5.42654e-08% change) linmin: converged after 3 iterations. iteration 416: trace = 2.393039481509238 (2.75573e-08% change) linmin: converged after 22 iterations. iteration 417: trace = 2.393039480528698 (4.09747e-08% change) linmin: converged after 4 iterations. iteration 418: trace = 2.39303947964006 (3.71343e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.393039478782618 (3.58307e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039478275941 (2.1173e-08% change) linmin: converged after 2 iterations. iteration 421: trace = 2.393039477595279 (2.84434e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039477233788 (1.51059e-08% change) linmin: converged after 25 iterations. iteration 423: trace = 2.39303947667978 (2.31508e-08% change) linmin: converged after 3 iterations. iteration 424: trace = 2.393039475855522 (3.4444e-08% change) linmin: converged after 7 iterations. iteration 425: trace = 2.393039475632815 (9.30642e-09% change) large trace change predicted (4.37685e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.393039474585418 (4.37685e-08% change) linmin: converged after 12 iterations. iteration 427: trace = 2.393039474175797 (1.71172e-08% change) large trace change predicted (7.07423e-08%) linmin: converged after 3 iterations. iteration 428: trace = 2.393039472482906 (7.07423e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.393039471677135 (3.36714e-08% change) large trace change predicted (1.08108e-07%) linmin: converged after 3 iterations. iteration 430: trace = 2.393039469090072 (1.08108e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.393039467633389 (6.08717e-08% change) linmin: converged after 2 iterations. iteration 432: trace = 2.393039465990673 (6.86456e-08% change) linmin: converged after 3 iterations. iteration 433: trace = 2.393039464195083 (7.50339e-08% change) linmin: converged after 4 iterations. iteration 434: trace = 2.393039463309283 (3.70157e-08% change) linmin: converged after 2 iterations. iteration 435: trace = 2.393039462247416 (4.43732e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.393039462037904 (8.75504e-09% change) large trace change predicted (1.8563e-08%) linmin: converged after 3 iterations. iteration 437: trace = 2.393039461593683 (1.8563e-08% change) linmin: converged after 21 iterations. iteration 438: trace = 2.393039461433791 (6.68157e-09% change) large trace change predicted (1.40986e-08%) linmin: converged after 2 iterations. iteration 439: trace = 2.393039461096406 (1.40986e-08% change) linmin: converged after 4 iterations. iteration 440: trace = 2.39303946083414 (1.09596e-08% change) linmin: converged after 20 iterations. iteration 441: trace = 2.393039460525916 (1.288e-08% change) linmin: converged after 2 iterations. iteration 442: trace = 2.393039460105794 (1.7556e-08% change) linmin: converged after 4 iterations. iteration 443: trace = 2.393039459914301 (8.00207e-09% change) large trace change predicted (1.9055e-08%) linmin: converged after 2 iterations. iteration 444: trace = 2.39303945945831 (1.90549e-08% change) linmin: converged after 3 iterations. iteration 445: trace = 2.393039459254286 (8.52572e-09% change) linmin: converged after 16 iterations. iteration 446: trace = 2.393039458883792 (1.54821e-08% change) linmin: converged after 4 iterations. iteration 447: trace = 2.393039458587031 (1.2401e-08% change) linmin: converged after 4 iterations. iteration 448: trace = 2.3930394580507 (2.24121e-08% change) linmin: converged after 3 iterations. iteration 449: trace = 2.393039457449019 (2.5143e-08% change) linmin: converged after 22 iterations. iteration 450: trace = 2.393039456609034 (3.51011e-08% change) linmin: converged after 4 iterations. iteration 451: trace = 2.393039455985265 (2.6066e-08% change) linmin: converged after 4 iterations. iteration 452: trace = 2.393039455165137 (3.42714e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.393039454474993 (2.88397e-08% change) linmin: converged after 4 iterations. iteration 454: trace = 2.393039454016153 (1.91739e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.393039453402519 (2.56425e-08% change) linmin: converged after 3 iterations. iteration 456: trace = 2.393039453162925 (1.00121e-08% change) linmin: converged after 4 iterations. iteration 457: trace = 2.393039452713052 (1.87992e-08% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039452629283 (3.50053e-09% change) large trace change predicted (1.07187e-08%) linmin: converged after 2 iterations. iteration 459: trace = 2.39303945237278 (1.07187e-08% change) linmin: converged after 21 iterations. iteration 460: trace = 2.393039452295689 (3.22144e-09% change) large trace change predicted (9.32592e-09%) linmin: converged after 18 iterations. iteration 461: trace = 2.393039452072517 (9.32591e-09% change) linmin: converged after 3 iterations. iteration 462: trace = 2.393039451915483 (6.56211e-09% change) linmin: converged after 3 iterations. iteration 463: trace = 2.393039451798932 (4.87039e-09% change) large trace change predicted (1.18185e-08%) linmin: converged after 3 iterations. iteration 464: trace = 2.393039451516111 (1.18185e-08% change) linmin: converged after 4 iterations. iteration 465: trace = 2.393039451400533 (4.82975e-09% change) large trace change predicted (1.44546e-08%) linmin: converged after 28 iterations. iteration 466: trace = 2.39303945105463 (1.44546e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.393039450905321 (6.23929e-09% change) large trace change predicted (1.94314e-08%) linmin: converged after 4 iterations. iteration 468: trace = 2.393039450440321 (1.94313e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.393039450281803 (6.62413e-09% change) linmin: converged after 4 iterations. iteration 470: trace = 2.393039449972655 (1.29186e-08% change) linmin: converged after 4 iterations. iteration 471: trace = 2.393039449660009 (1.30648e-08% change) linmin: converged after 2 iterations. iteration 472: trace = 2.393039449229532 (1.79887e-08% change) linmin: converged after 2 iterations. iteration 473: trace = 2.393039448800463 (1.79299e-08% change) linmin: converged after 15 iterations. iteration 474: trace = 2.393039448521379 (1.16623e-08% change) linmin: converged after 3 iterations. iteration 475: trace = 2.393039447965315 (2.32367e-08% change) linmin: converged after 2 iterations. iteration 476: trace = 2.393039447745158 (9.19992e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.393039447375167 (1.54611e-08% change) linmin: converged after 2 iterations. iteration 478: trace = 2.39303944724671 (5.36793e-09% change) linmin: converged after 3 iterations. iteration 479: trace = 2.393039447071293 (7.3303e-09% change) linmin: converged after 3 iterations. iteration 480: trace = 2.393039446991861 (3.31928e-09% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039446939597 (2.184e-09% change) linmin: converged after 4 iterations. iteration 482: trace = 2.393039446843208 (4.02791e-09% change) linmin: converged after 2 iterations. iteration 483: trace = 2.393039446803458 (1.66105e-09% change) large trace change predicted (7.39787e-09%) linmin: converged after 4 iterations. iteration 484: trace = 2.393039446626426 (7.39778e-09% change) linmin: converged after 21 iterations. iteration 485: trace = 2.393039446464938 (6.74824e-09% change) large trace change predicted (1.97902e-08%) linmin: converged after 3 iterations. iteration 486: trace = 2.393039445991349 (1.97903e-08% change) linmin: converged after 16 iterations. iteration 487: trace = 2.393039445475184 (2.15694e-08% change) large trace change predicted (7.30188e-08%) linmin: converged after 4 iterations. iteration 488: trace = 2.393039443727822 (7.30185e-08% change) linmin: converged after 4 iterations. iteration 489: trace = 2.393039442559501 (4.88216e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.393039441877841 (2.84851e-08% change) linmin: converged after 3 iterations. iteration 491: trace = 2.393039440914235 (4.0267e-08% change) linmin: converged after 3 iterations. iteration 492: trace = 2.393039440693513 (9.2235e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039440296874 (1.65747e-08% change) linmin: converged after 3 iterations. iteration 494: trace = 2.393039440038891 (1.07806e-08% change) linmin: converged after 6 iterations. iteration 495: trace = 2.393039439985713 (2.22217e-09% change) large trace change predicted (8.53731e-09%) linmin: converged after 2 iterations. iteration 496: trace = 2.393039439781413 (8.53728e-09% change) linmin: converged after 17 iterations. iteration 497: trace = 2.393039439667759 (4.74932e-09% change) linmin: converged after 17 iterations. iteration 498: trace = 2.393039439609086 (2.45184e-09% change) linmin: converged after 2 iterations. iteration 499: trace = 2.393039439522989 (3.59781e-09% change) linmin: converged after 3 iterations. iteration 500: trace = 2.393039439491312 (1.32371e-09% change) linmin: converged after 3 iterations. iteration 501: trace = 2.393039439463332 (1.16922e-09% change) linmin: converged after 7 iterations. iteration 502: trace = 2.393039439413804 (2.06969e-09% change) linmin: converged after 3 iterations. iteration 503: trace = 2.393039439387728 (1.08964e-09% change) large trace change predicted (4.50871e-09%) linmin: converged after 4 iterations. iteration 504: trace = 2.393039439279835 (4.50863e-09% change) linmin: converged after 4 iterations. iteration 505: trace = 2.39303943922952 (2.10255e-09% change) large trace change predicted (8.49044e-09%) linmin: converged after 4 iterations. iteration 506: trace = 2.393039439026339 (8.49052e-09% change) linmin: converged after 4 iterations. iteration 507: trace = 2.393039438900217 (5.27034e-09% change) linmin: converged after 3 iterations. iteration 508: trace = 2.393039438696744 (8.50271e-09% change) linmin: converged after 4 iterations. iteration 509: trace = 2.393039438423935 (1.14001e-08% change) linmin: converged after 7 iterations. iteration 510: trace = 2.393039438264664 (6.65559e-09% change) linmin: converged after 2 iterations. iteration 511: trace = 2.393039438057 (8.67782e-09% change) linmin: converged after 12 iterations. iteration 512: trace = 2.393039438003464 (2.23719e-09% change) large trace change predicted (6.65431e-09%) linmin: converged after 2 iterations. iteration 513: trace = 2.393039437844222 (6.65438e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.393039437769656 (3.11596e-09% change) linmin: converged after 3 iterations. iteration 515: trace = 2.393039437728169 (1.73365e-09% change) large trace change predicted (3.87865e-09%) linmin: converged after 6 iterations. iteration 516: trace = 2.393039437635353 (3.87856e-09% change) linmin: converged after 4 iterations. iteration 517: trace = 2.393039437600702 (1.44799e-09% change) large trace change predicted (3.17539e-09%) linmin: converged after 4 iterations. iteration 518: trace = 2.393039437524712 (3.17545e-09% change) linmin: converged after 2 iterations. iteration 519: trace = 2.393039437451311 (3.06728e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039437407143 (1.84568e-09% change) large trace change predicted (3.72072e-09%) linmin: converged after 4 iterations. iteration 521: trace = 2.393039437318105 (3.72071e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.393039437253991 (2.67919e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.393039437181881 (3.01334e-09% change) linmin: converged after 3 iterations. iteration 524: trace = 2.393039437089195 (3.87314e-09% change) linmin: converged after 2 iterations. iteration 525: trace = 2.393039437059902 (1.22407e-09% change) large trace change predicted (7.03091e-09%) linmin: converged after 3 iterations. iteration 526: trace = 2.393039436891649 (7.03095e-09% change) linmin: converged after 2 iterations. iteration 527: trace = 2.393039436769147 (5.1191e-09% change) linmin: converged after 3 iterations. iteration 528: trace = 2.393039436581148 (7.85609e-09% change) linmin: converged after 2 iterations. iteration 529: trace = 2.393039436310162 (1.13239e-08% change) linmin: converged after 21 iterations. iteration 530: trace = 2.393039436148449 (6.75765e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039435977371 (7.14898e-09% change) linmin: converged after 2 iterations. iteration 532: trace = 2.393039435842305 (5.64411e-09% change) linmin: converged after 3 iterations. iteration 533: trace = 2.393039435808408 (1.41652e-09% change) linmin: converged after 6 iterations. iteration 534: trace = 2.393039435752657 (2.32968e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435731187 (8.97201e-10% change) linmin: converged after 3 iterations. iteration 536: trace = 2.393039435699312 (1.332e-09% change) linmin: converged after 2 iterations. iteration 537: trace = 2.393039435665405 (1.41691e-09% change) linmin: converged after 12 iterations. iteration 538: trace = 2.393039435628563 (1.53953e-09% change) linmin: converged after 2 iterations. iteration 539: trace = 2.393039435577229 (2.14514e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039435520445 (2.37286e-09% change) linmin: converged after 8 iterations. iteration 541: trace = 2.393039435438205 (3.43663e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.3930394353919 (1.93499e-09% change) large trace change predicted (4.31146e-09%) linmin: converged after 2 iterations. iteration 543: trace = 2.393039435288725 (4.31145e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039435218386 (2.93935e-09% change) linmin: converged after 3 iterations. iteration 545: trace = 2.393039435101708 (4.8757e-09% change) linmin: converged after 4 iterations. iteration 546: trace = 2.393039434948594 (6.39832e-09% change) linmin: converged after 2 iterations. iteration 547: trace = 2.393039434878458 (2.93081e-09% change) large trace change predicted (8.45776e-09%) linmin: converged after 4 iterations. iteration 548: trace = 2.393039434676062 (8.45773e-09% change) linmin: converged after 3 iterations. iteration 549: trace = 2.393039434600429 (3.16052e-09% change) linmin: converged after 5 iterations. iteration 550: trace = 2.393039434485842 (4.78835e-09% change) linmin: converged after 2 iterations. iteration 551: trace = 2.393039434353315 (5.53805e-09% change) linmin: converged after 17 iterations. iteration 552: trace = 2.393039434324175 (1.21767e-09% change) large trace change predicted (3.6735e-09%) linmin: converged after 4 iterations. iteration 553: trace = 2.393039434236265 (3.67358e-09% change) linmin: converged after 19 iterations. iteration 554: trace = 2.393039434221693 (6.08947e-10% change) large trace change predicted (2.04495e-09%) linmin: converged after 2 iterations. iteration 555: trace = 2.393039434172757 (2.04491e-09% change) linmin: converged after 4 iterations. iteration 556: trace = 2.393039434150635 (9.24444e-10% change) linmin: converged after 5 iterations. iteration 557: trace = 2.393039434121552 (1.21533e-09% change) linmin: converged after 9 iterations. iteration 558: trace = 2.393039434068835 (2.20289e-09% change) linmin: converged after 11 iterations. iteration 559: trace = 2.393039434030584 (1.59845e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 560: trace = 2.393039433998421 (1.34401e-09% change) linmin: converged after 2 iterations. iteration 561: trace = 2.393039433981691 (6.991e-10% change) large trace change predicted (1.66324e-09%) linmin: converged after 4 iterations. iteration 562: trace = 2.393039433941888 (1.66329e-09% change) linmin: converged after 6 iterations. iteration 563: trace = 2.393039433909536 (1.35192e-09% change) linmin: converged after 3 iterations. iteration 564: trace = 2.393039433877034 (1.35819e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039433820025 (2.38229e-09% change) linmin: converged after 15 iterations. iteration 566: trace = 2.393039433805128 (6.22513e-10% change) large trace change predicted (2.484e-09%) linmin: converged after 3 iterations. iteration 567: trace = 2.39303943374568 (2.4842e-09% change) linmin: converged after 6 iterations. iteration 568: trace = 2.393039433693769 (2.16925e-09% change) linmin: converged after 3 iterations. iteration 569: trace = 2.393039433610914 (3.46234e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039433486341 (5.20565e-09% change) linmin: converged after 2 iterations. iteration 571: trace = 2.393039433449188 (1.55256e-09% change) large trace change predicted (4.57371e-09%) linmin: converged after 2 iterations. iteration 572: trace = 2.393039433339736 (4.57377e-09% change) linmin: converged after 3 iterations. iteration 573: trace = 2.393039433299367 (1.68694e-09% change) linmin: converged after 4 iterations. iteration 574: trace = 2.393039433253962 (1.89736e-09% change) linmin: converged after 2 iterations. iteration 575: trace = 2.393039433198666 (2.31069e-09% change) linmin: converged after 22 iterations. iteration 576: trace = 2.393039433175426 (9.71172e-10% change) linmin: converged after 4 iterations. iteration 577: trace = 2.393039433141982 (1.39755e-09% change) linmin: converged after 20 iterations. iteration 578: trace = 2.393039433102276 (1.65923e-09% change) linmin: converged after 6 iterations. iteration 579: trace = 2.39303943308521 (7.13148e-10% change) linmin: converged after 13 iterations. iteration 580: trace = 2.393039433061047 (1.00972e-09% change) linmin: converged after 4 iterations. iteration 581: trace = 2.393039433052873 (3.41551e-10% change) linmin: converged after 3 iterations. iteration 582: trace = 2.393039433038345 (6.07128e-10% change) linmin: converged after 2 iterations. iteration 583: trace = 2.393039433019367 (7.93038e-10% change) linmin: converged after 6 iterations. iteration 584: trace = 2.393039433014078 (2.2102e-10% change) large trace change predicted (1.43366e-09%) linmin: converged after 2 iterations. iteration 585: trace = 2.393039432979771 (1.43363e-09% change) linmin: converged after 9 iterations. iteration 586: trace = 2.393039432962907 (7.04704e-10% change) large trace change predicted (1.66449e-09%) linmin: converged after 4 iterations. iteration 587: trace = 2.393039432923076 (1.66444e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.393039432860696 (2.60674e-09% change) linmin: converged after 3 iterations. iteration 589: trace = 2.393039432823018 (1.57446e-09% change) linmin: converged after 3 iterations. iteration 590: trace = 2.393039432771496 (2.15301e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.393039432706731 (2.70639e-09% change) linmin: converged after 18 iterations. iteration 592: trace = 2.393039432691658 (6.29843e-10% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039432665081 (1.11059e-09% change) linmin: converged after 3 iterations. iteration 594: trace = 2.39303943264611 (7.92759e-10% change) linmin: converged after 6 iterations. iteration 595: trace = 2.393039432634438 (4.87748e-10% change) large trace change predicted (1.00038e-09%) linmin: converged after 3 iterations. iteration 596: trace = 2.393039432610501 (1.00031e-09% change) linmin: converged after 3 iterations. iteration 597: trace = 2.39303943259991 (4.4256e-10% change) large trace change predicted (9.31773e-10%) linmin: converged after 2 iterations. iteration 598: trace = 2.393039432577611 (9.31848e-10% change) linmin: converged after 9 iterations. iteration 599: trace = 2.393039432563318 (5.97256e-10% change) linmin: converged after 10 iterations. iteration 600: trace = 2.393039432555152 (3.41255e-10% change) linmin: converged after 2 iterations. iteration 601: trace = 2.39303943254374 (4.76873e-10% change) linmin: converged after 4 iterations. iteration 602: trace = 2.393039432536114 (3.18651e-10% change) linmin: converged after 10 iterations. iteration 603: trace = 2.393039432525622 (4.3844e-10% change) linmin: converged after 9 iterations. iteration 604: trace = 2.393039432510641 (6.2602e-10% change) linmin: converged after 19 iterations. iteration 605: trace = 2.393039432502631 (3.34722e-10% change) large trace change predicted (8.31051e-10%) linmin: converged after 4 iterations. iteration 606: trace = 2.393039432482746 (8.30951e-10% change) linmin: converged after 3 iterations. iteration 607: trace = 2.393039432471255 (4.80195e-10% change) large trace change predicted (1.03073e-09%) linmin: converged after 2 iterations. iteration 608: trace = 2.393039432446589 (1.03074e-09% change) linmin: converged after 12 iterations. iteration 609: trace = 2.393039432409833 (1.53595e-09% change) linmin: converged after 6 iterations. iteration 610: trace = 2.393039432384142 (1.07359e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039432343817 (1.6851e-09% change) linmin: converged after 3 iterations. iteration 612: trace = 2.393039432324883 (7.91182e-10% change) linmin: converged after 6 iterations. iteration 613: trace = 2.393039432302127 (9.50944e-10% change) linmin: converged after 3 iterations. iteration 614: trace = 2.393039432296503 (2.34994e-10% change) linmin: converged after 3 iterations. iteration 615: trace = 2.39303943228735 (3.82508e-10% change) linmin: converged after 5 iterations. iteration 616: trace = 2.393039432282837 (1.88582e-10% change) linmin: converged after 4 iterations. iteration 617: trace = 2.393039432279168 (1.53322e-10% change) linmin: converged after 3 iterations. iteration 618: trace = 2.393039432274499 (1.95114e-10% change) linmin: converged after 2 iterations. iteration 619: trace = 2.393039432271487 (1.25839e-10% change) large trace change predicted (3.36466e-10%) linmin: converged after 3 iterations. iteration 620: trace = 2.393039432263438 (3.36374e-10% change) linmin: converged after 6 iterations. iteration 621: trace = 2.393039432259958 (1.45398e-10% change) large trace change predicted (5.66458e-10%) linmin: converged after 3 iterations. iteration 622: trace = 2.393039432246404 (5.66413e-10% change) linmin: converged after 3 iterations. iteration 623: trace = 2.393039432233274 (5.48691e-10% change) linmin: converged after 8 iterations. iteration 624: trace = 2.393039432224592 (3.628e-10% change) large trace change predicted (8.65721e-10%) linmin: converged after 2 iterations. iteration 625: trace = 2.393039432203877 (8.65616e-10% change) linmin: converged after 4 iterations. iteration 626: trace = 2.39303943219698 (2.88217e-10% change) large trace change predicted (2.29449e-09%) linmin: converged after 3 iterations. iteration 627: trace = 2.393039432142074 (2.29438e-09% change) linmin: converged after 6 iterations. iteration 628: trace = 2.39303943212551 (6.92215e-10% change) large trace change predicted (2.39439e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432068211 (2.39439e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.393039432023063 (1.88663e-09% change) linmin: converged after 15 iterations. iteration 631: trace = 2.393039432012107 (4.57814e-10% change) large trace change predicted (1.67321e-09%) linmin: converged after 4 iterations. iteration 632: trace = 2.393039431972063 (1.67337e-09% change) linmin: converged after 3 iterations. iteration 633: trace = 2.39303943196465 (3.09781e-10% change) large trace change predicted (6.21204e-10%) linmin: converged after 3 iterations. iteration 634: trace = 2.393039431949783 (6.21251e-10% change) linmin: converged after 2 iterations. iteration 635: trace = 2.393039431941521 (3.45244e-10% change) linmin: converged after 5 iterations. iteration 636: trace = 2.393039431937146 (1.82847e-10% change) linmin: converged after 3 iterations. iteration 637: trace = 2.393039431929762 (3.08538e-10% change) linmin: converged after 3 iterations. iteration 638: trace = 2.393039431927226 (1.05982e-10% change) linmin: converged after 4 iterations. iteration 639: trace = 2.39303943192216 (2.11686e-10% change) linmin: converged after 3 iterations. iteration 640: trace = 2.393039431918317 (1.60597e-10% change) linmin: converged after 8 iterations. iteration 641: trace = 2.393039431917379 (3.92121e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 24.321801900863647 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263163489 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856763205 at Vector3<0.0, 0.0, 0.0> to 0.3546302405474123 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.356214235590985 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.3652783351761019 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666648434 at Vector3<0.0, 0.0, 0.0> to 0.4807484678429431 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.47790148240069075 at Vector3<0.5, 0.0, 0.0> to 0.5073352894283986 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587504393 at Vector3<0.0, 0.0, 0.0> to 0.512534369239338 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758743978008 at Vector3<0.5, 0.0, 0.0> to 0.6079200818233914 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764824726 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846531372 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609318255 at Vector3<0.5, 0.0, 0.0> to 0.6489078359561564 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898905040147 at Vector3<0.5, 0.0, 0.0> to 0.6600163329770867 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263163489) to band 2 (0.26588497856763205), 20.865194941476375% Gap from band 2 (0.3546302405474123) to band 3 (0.356214235590985), 0.44566571078319966% Gap from band 3 (0.3652783351761019) to band 4 (0.36899013666648434), 1.0110202555934222% Gap from band 7 (0.6079200818233914) to band 8 (0.6150518764824726), 1.1663055085842857% Gap from band 8 (0.6356807846531372) to band 9 (0.6397097609318255), 0.6318027513431914% total elapsed time for run: 380.13264322280884 done /tmp/meep4PaIBY/test_hermitian_eps-0: 380.13s /tmp/meep4PaIBY/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.7166128158569336 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812085 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363155 (21.1015% change) linmin: converged after 6 iterations. iteration 4: trace = 2.40241249385957 (10.5287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.282088343951399 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135598 (2.39512% change) linmin: converged after 7 iterations. iteration 7: trace = 2.207088432445513 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295920371 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156579988943 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.19061263941641 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950475648 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973206251 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751661914 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093603424 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848798 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563759 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722257 (0.000399861% change) linmin: converged after 4 iterations. iteration 18: trace = 2.187961616111335 (0.000201768% change) linmin: converged after 5 iterations. iteration 19: trace = 2.187959777341824 (8.40403e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 2.187958886064244 (4.07356e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 2.187958549134365 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.187958302488668 (1.12729e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 2.187958133390967 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545629 (2.68951e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 2.187958069786985 (2.17492e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.187958069734506 (2.39855e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 2.187958069720248 (6.51655e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.187958069713324 (3.1647e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.18795806970928 (1.84804e-10% change) linmin: converged after 14 iterations. iteration 30: trace = 2.187958069706368 (1.33087e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 68.35761594772339 total elapsed time for run: 69.07431936264038 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meep4PaIBY/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 2.228203850407754 s /tmp/meep4PaIBY/test_hole_slab-0: 69.25s /tmp/meep4PaIBY/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.017644643783569336 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828974 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550758 (96.0359% change) linmin: converged after 6 iterations. iteration 3: trace = 4.482417469982445 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909694 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789124 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653451 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558351 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277234 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069832 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696019 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166413 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779061 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818996 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810423 (2.28286e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296355217 (6.44155e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 4.384896163448913 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996883 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.22729e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 4.384895970966356 (1.92057e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 4.384895907261345 (1.45283e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.3848957068431 (4.57065e-06% change) large trace change predicted (5.41039e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338182164 (5.40187e-05% change) large trace change predicted (0.000283054%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228353985 (0.000276172% change) linmin: converged after 9 iterations. iteration 24: trace = 4.384874398294823 (0.000155764% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500513711 (4.32802e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395471816 (2.52012e-05% change) linmin: converged after 9 iterations. iteration 27: trace = 4.384870693946444 (1.59988e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461991072 (5.2899e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388776773 (1.6697e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 4.384870368925833 (4.52714e-07% change) linmin: converged after 10 iterations. iteration 31: trace = 4.384870362403318 (1.4875e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 4.384870359727655 (6.10204e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219449 (1.159e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145734 (1.68113e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.384870359129951 (3.59941e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120915 (2.0608e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.38487035911561 (1.20966e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.7493271827697754 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.398721940930018 (0.785796% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117316903974 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343308629444 (0.0859442% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788236161571 (0.0582278% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878568871475 (0.06635% change) large trace change predicted (0.244095%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047466163459 (0.224508% change) linmin: converged after 8 iterations. iteration 7: trace = 4.368118485130831 (0.135641% change) linmin: converged after 7 iterations. iteration 8: trace = 4.366002618092194 (0.0484506% change) linmin: converged after 4 iterations. iteration 9: trace = 4.36474279607383 (0.0288594% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161250576655 (0.0133246% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460053582 (0.0039823% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770436642 (0.000817825% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583509695 (0.000302179% change) linmin: converged after 8 iterations. iteration 14: trace = 4.363930081725975 (0.000194819% change) linmin: converged after 4 iterations. iteration 15: trace = 4.363920378371304 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621596412 (0.000223578% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924428309 (0.000153467% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915380417 (6.89531e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331095293 (1.33891e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186219114 (3.31988e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964026 (2.22863e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 4.363900060699542 (6.47689e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.36390005530451 (1.23629e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 4.363900051912937 (7.77188e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 4.363900047515015 (1.0078e-07% change) linmin: converged after 10 iterations. iteration 26: trace = 4.363900042904682 (1.05647e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 4.36390004038918 (5.76434e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.36390003927038 (2.56376e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 4.363900038955538 (7.21468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873569 (1.87834e-09% change) linmin: converged after 26 iterations. iteration 31: trace = 4.363900038847108 (6.06373e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835858 (2.57789e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.36390003883082 (1.15462e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.7816183567047119 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609678 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322993 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.32639370164097 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292335 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266948 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490809005 (0.00022026% change) linmin: converged after 6 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651871 (1.62193e-05% change) linmin: converged after 21 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 15 iterations. iteration 10: trace = 4.325994468151046 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562192 (1.29192e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.325994459723793 (6.56126e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.32599445837473 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604776 (3.33429e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.325994457594259 (2.4311e-10% change) linmin: converged after 15 iterations. iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.3760256767272949 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070929652 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847934489 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538322207 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198859 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.29810142377206 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916545 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492031 (2.25864e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.298080977563763 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767695 (1.85215e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.298080976493845 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439338 (1.26818e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434354 (1.15949e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.352658748626709 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997795 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617624 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707246 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 6 iterations. iteration 6: trace = 4.286089079043695 (0.000170613% change) linmin: converged after 4 iterations. iteration 7: trace = 4.286087354619918 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657689 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 13 iterations. iteration 10: trace = 4.286087122345822 (5.53669e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648089 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456529 (4.46936e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.286087121427353 (6.80709e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422131 (1.21827e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.40532422065734863 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792948 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.283886826915921 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456615 (2.37295e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322503 (3.1306e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305652 (3.93367e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.278825044631958 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396198 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28802476019065 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392985 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037952 (1.15171e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28788950034711 (5.60442e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49223e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903877 (2.84463e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875894 (6.52604e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.24101543426513672 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.30135680349205 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537508 (0.0305355% change) linmin: converged after 14 iterations. iteration 3: trace = 4.299922855277374 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777737 (0.000350321% change) linmin: converged after 5 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.299904830345856 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447066 (2.65935e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13419e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962037 (2.1458e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.29990477094445 (4.09005e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939916 (1.05448e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.3199772834777832 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090537 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755696 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607536 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 4 iterations. iteration 5: trace = 4.319880164551647 (7.59385e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 4.319879323285329 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560541 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421853 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813201 (1.40896e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663673 (3.4614e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31987922462695 (8.50085e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.3333015441894531 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370816 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089962 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085769 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679971983 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105871 (0.000121101% change) linmin: converged after 4 iterations. iteration 6: trace = 4.347482964576337 (3.33648e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.347482711409491 (5.8233e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.347482493192526 (5.01939e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.347482344420546 (3.42203e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718709 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039397 (6.1629e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.347482286360999 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300156 (1.3995e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.347482286295715 (1.02149e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.34407591819763184 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611536421 (0.261984% change) linmin: converged after 5 iterations. iteration 2: trace = 4.382001036495846 (0.0389831% change) linmin: converged after 5 iterations. iteration 3: trace = 4.381788780260462 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715857315 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092896315 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455726061 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816255641 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919176987 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330733306 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279325 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825334 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387272 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335712 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929221 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63267e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.38121566842275 (1.08827e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 4.38121566818573 (5.40992e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07548e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457712 (9.54132e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 4 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.38121566081816 (1.22559e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.381215657974622 (6.49029e-08% change) linmin: converged after 11 iterations. iteration 24: trace = 4.381215657571819 (9.19387e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498213 (1.68004e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.38121565748099 (3.93123e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.692946195602417 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078049 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837959946 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521733 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673121 (0.0111185% change) linmin: converged after 5 iterations. iteration 5: trace = 4.322744261437419 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405229 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.322737639096739 (2.13593e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 4.322737373315284 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966322 (1.14161e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.322737320305619 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841387 (1.07393e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.32273731950741 (7.72606e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388514 (2.75048e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.322737319377672 (2.50813e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.37677931785583496 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30733259192351 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684623329 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283071 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572574 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.3008568198607 (0.000742564% change) linmin: converged after 7 iterations. iteration 6: trace = 4.300852819316737 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232528 (2.46715e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.300851520938096 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505008 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.30085149141083 (2.18975e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07386e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.3027815818786621 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374017137 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.31885438777056 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132378246 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406809 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908731 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586099012 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114097 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372542 (8.54139e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.31711290354308 (1.24689e-06% change) linmin: converged after 14 iterations. iteration 10: trace = 4.317112897314944 (1.44266e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.317112896825685 (1.1333e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.2510519027709961 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887688 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344748 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496757 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793742 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549726 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455427 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839165 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070673 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360147 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194552 (1.18523e-07% change) linmin: converged after 15 iterations. iteration 12: trace = 4.358297516480512 (1.63835e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 4.358297516296371 (4.22506e-09% change) linmin: converged after 8 iterations. iteration 14: trace = 4.358297516225988 (1.61492e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.35829751621598 (2.29651e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.35424256324768066 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853022 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318527 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538979 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085717 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461173 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836655 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775308 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979726 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853222 (1.87938e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 24 iterations. iteration 12: trace = 4.385086139697305 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058149 (1.45757e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.385086138940978 (2.67204e-09% change) large trace change predicted (7.99145e-09%) linmin: converged after 19 iterations. iteration 15: trace = 4.385086138590539 (7.99161e-09% change) large trace change predicted (6.99046e-08%) linmin: converged after 4 iterations. iteration 16: trace = 4.385086135525146 (6.9905e-08% change) large trace change predicted (2.99638e-07%) linmin: converged after 15 iterations. iteration 17: trace = 4.38508612238568 (2.9964e-07% change) large trace change predicted (1.05365e-06%) linmin: converged after 4 iterations. iteration 18: trace = 4.385086076184955 (1.05359e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075354205838 (0.00024451% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074742555071 (1.39485e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 4.385074123016911 (1.41283e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.385073489483645 (1.44475e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072830671909 (1.5024e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.385072133156352 (1.59066e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071381701924 (1.71367e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.38507055881408 (1.87657e-05% change) linmin: converged after 11 iterations. iteration 27: trace = 4.385069644258448 (2.08561e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068615201292 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067448165703 (2.66139e-05% change) linmin: converged after 12 iterations. iteration 30: trace = 4.385066125006874 (3.01742e-05% change) linmin: converged after 10 iterations. iteration 31: trace = 4.385064645392967 (3.37421e-05% change) linmin: converged after 10 iterations. iteration 32: trace = 4.385063043532337 (3.65299e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 4.385061393686593 (3.76242e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059785765457 (3.66682e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.38505828571092 (3.42083e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.385056918715764 (3.11739e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.38505568014297 (2.82453e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054552447188 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053515901609 (2.36381e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052553115354 (2.19561e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 4.385051650230681 (2.05901e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.385050796780807 (1.94627e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049985135449 (1.85094e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049209893258 (1.76792e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048467337937 (1.69338e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.385047754984416 (1.62451e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.385047071278264 (1.55918e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.385046415093593 (1.49641e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045785697033 (1.43532e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045182665159 (1.3752e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 4.385044605515017 (1.31618e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.385044053772608 (1.25824e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043526949073 (1.20141e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.38504302444603 (1.14595e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.385042545584802 (1.09203e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.385042089573762 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041655577478 (9.8972e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041242694529 (9.41571e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 4.385040849983951 (8.95569e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040476484113 (8.51759e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040121217231 (8.10179e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039783217611 (7.70802e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039461533078 (7.33595e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 4.385039155231173 (6.98516e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038863412921 (6.65486e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038585211775 (6.34433e-06% change) linmin: converged after 11 iterations. iteration 67: trace = 4.385038319799365 (6.05268e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.385038066386834 (5.77903e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037824224584 (5.52247e-06% change) resetting CG direction... large trace change predicted (0.00313316%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900323834382 (0.00313572% change) linmin: converged after 5 iterations. iteration 71: trace = 4.384884251653409 (0.000366535% change) linmin: converged after 15 iterations. iteration 72: trace = 4.384873438099873 (0.00024661% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687921397 (6.27197e-05% change) linmin: converged after 8 iterations. iteration 74: trace = 4.384870449208404 (5.44401e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415805898 (7.61767e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 4.38487040111867 (3.34952e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492229 (1.73926e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389505634 (9.09171e-08% change) linmin: converged after 17 iterations. iteration 79: trace = 4.384870388333979 (2.67204e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 4.384870388228482 (2.40593e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388201534 (6.14553e-10% change) large trace change predicted (3.52788e-09%) linmin: converged after 3 iterations. iteration 82: trace = 4.384870388046835 (3.52803e-09% change) large trace change predicted (3.76309e-08%) linmin: converged after 11 iterations. iteration 83: trace = 4.384870386396763 (3.7631e-08% change) large trace change predicted (1.53218e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379678431 (1.53216e-07% change) linmin: converged after 12 iterations. iteration 85: trace = 4.384870373496177 (1.40991e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 4.384870369364628 (9.42228e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.384870363595912 (1.3156e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360433216 (7.21275e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359582584 (1.93993e-08% change) linmin: converged after 19 iterations. iteration 90: trace = 4.384870359189021 (8.97547e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114158 (1.7073e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106892 (1.6571e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 1.7752423286437988 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% total elapsed time for run: 7.954115629196167 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014758110046386719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538319 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880881 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177969 (14.0209% change) linmin: converged after 7 iterations. iteration 4: trace = 6.588886523633432 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424240228 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866148 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823717936 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606278 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132243 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000219 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753596 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969674 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660828 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027070809 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909485 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452094 (0.00114489% change) linmin: converged after 5 iterations. iteration 17: trace = 6.468566795431892 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940077 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013788 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358178 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926665532 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 5 iterations. iteration 22: trace = 6.468407161827736 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335224053 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 11 iterations. iteration 24: trace = 6.467419876416453 (0.0103043% change) linmin: converged after 7 iterations. iteration 25: trace = 6.466887403808943 (0.00823349% change) linmin: converged after 5 iterations. iteration 26: trace = 6.46664078986795 (0.00381356% change) linmin: converged after 3 iterations. iteration 27: trace = 6.466547272917 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039001571 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937738228 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473165567 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920808034 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299913414 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014508 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979754835 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055258 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614521 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.46646875172329 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412457695 (5.24654e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 6.466467929858439 (7.4631e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100420315 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255870575 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 6 iterations. iteration 42: trace = 6.466461220016761 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.46645103001381 (0.000157582% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013341643 (0.000278618% change) linmin: converged after 6 iterations. iteration 45: trace = 6.466416782672162 (0.000250999% change) linmin: converged after 5 iterations. iteration 46: trace = 6.4664094905272 (0.00011277% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899774644 (4.00648e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.46640609447639 (1.24536e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.466405844610549 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905435 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747179933 (3.51439e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.466405737995057 (1.4204e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 6.466405731537542 (9.98625e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405724918882 (1.02355e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.46640571804728 (1.06266e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327516 (7.37987e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709707839 (5.5167e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036908 (4.13047e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.46640570413072 (4.49429e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405699086192 (7.80113e-08% change) large trace change predicted (1.56029e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996683 (1.5603e-07% change) large trace change predicted (3.74427e-07%) linmin: converged after 10 iterations. iteration 62: trace = 6.466405664784492 (3.7443e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627488661 (5.76763e-07% change) linmin: converged after 12 iterations. iteration 64: trace = 6.466405586875672 (6.28061e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.466405565064147 (3.37305e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.4664055559071 (1.4161e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.46640555260463 (5.10712e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551334199 (1.96466e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550798717 (8.28098e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550641908 (2.42498e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503332 (2.14302e-09% change) linmin: converged after 9 iterations. iteration 72: trace = 6.466405550444732 (9.06212e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 6.466405550414196 (4.72232e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.466405550383241 (4.78702e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550351419 (4.92121e-10% change) large trace change predicted (1.03796e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550284295 (1.03804e-09% change) large trace change predicted (2.15828e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550144725 (2.15837e-09% change) large trace change predicted (4.86816e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549829948 (4.86789e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.466405549268318 (8.68535e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.466405548565625 (1.08668e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892629 (1.04076e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547384065 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546956302 (6.61517e-09% change) linmin: converged after 12 iterations. iteration 84: trace = 6.466405546505226 (6.97568e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.466405546056942 (6.93251e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724251 (5.14492e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536705 (2.90031e-09% change) linmin: converged after 2 iterations. iteration 88: trace = 6.46640554546141 (1.16439e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440695 (3.20348e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433981 (1.03839e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 1.2081878185272217 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067053669357 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765702784639 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747700409 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653603632566 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220860662882 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272319226 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062399932 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086028884 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047626751 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458419555 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011403234 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519858785 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913662254 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529099064 (0.00168629% change) linmin: converged after 5 iterations. iteration 15: trace = 6.368001436765208 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391422778 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304381571 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626652769 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610028832 (0.000173002% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428078566 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388195516 (6.34412e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639597514 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.36791367406002 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248326844 (2.23893e-05% change) linmin: converged after 16 iterations. iteration 25: trace = 6.367910983142096 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777575 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.36790948337494 (8.15656e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 6.367909240413528 (3.8154e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 6.367909155901631 (1.32715e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122690511 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103766926 (2.97171e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.367909090577581 (2.07122e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277712 (1.7745e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 6.36790906864871 (1.66915e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036064 (1.19547e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 6.367909056621686 (6.93223e-08% change) linmin: converged after 7 iterations. iteration 37: trace = 6.367909054296987 (3.65065e-08% change) linmin: converged after 25 iterations. iteration 38: trace = 6.367909052624112 (2.62704e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314635 (2.05637e-08% change) linmin: converged after 19 iterations. iteration 40: trace = 6.367909050370923 (1.48198e-08% change) linmin: converged after 12 iterations. iteration 41: trace = 6.367909049791789 (9.09459e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418208 (5.86661e-09% change) linmin: converged after 7 iterations. iteration 43: trace = 6.367909049257634 (2.52162e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201551 (8.80701e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.36790904918262 (2.97296e-10% change) linmin: converged after 16 iterations. iteration 46: trace = 6.367909049171294 (1.77861e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.36790904915873 (1.97291e-10% change) linmin: converged after 3 iterations. switching to approximate line minimization (decrease time by 92.3251%) iteration 48: trace = 6.367909049144634 (2.21364e-10% change) iteration 49: trace = 6.367909049133682 (1.71989e-10% change) iteration 50: trace = 6.367909049127842 (9.17063e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.8365499973297119 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.320003260581148 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991296422 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745251999913 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.307868874482655 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660639564 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354504526 (0.00135245% change) linmin: converged after 9 iterations. iteration 7: trace = 6.307433279783119 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.307420189300506 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.30741490420469 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921476 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415158939 (2.58706e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.307409446531565 (1.5357e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.30740896896924 (7.57145e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 6.307408722233311 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328484 (2.04371e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531682 (6.94371e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.30740853480722 (2.33447e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.307408529970346 (7.66856e-08% change) linmin: converged after 8 iterations. iteration 19: trace = 6.307408528488406 (2.34952e-08% change) linmin: converged after 21 iterations. iteration 20: trace = 6.307408528005176 (7.66131e-09% change) linmin: converged after 18 iterations. iteration 21: trace = 6.307408527853786 (2.40019e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.307408527794078 (9.4663e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.307408527756519 (5.95479e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.307408527736824 (3.12258e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.307408527727548 (1.47067e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722554 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.2872743606567383 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613017253 (0.437255% change) linmin: converged after 5 iterations. iteration 2: trace = 6.286946394765399 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604058159 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186199 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588252 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510433035 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282108077528388 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305452 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384539 (0.000665771% change) linmin: converged after 5 iterations. iteration 10: trace = 6.28198892944936 (0.000297277% change) linmin: converged after 4 iterations. iteration 11: trace = 6.281981237844894 (0.000122439% change) linmin: converged after 4 iterations. iteration 12: trace = 6.28197675997208 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724723 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.281972494607892 (2.38956e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 6.281971806094747 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844383 (2.78973e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295184 (8.2059e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 6.281971566101336 (2.10027e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.28197156230419 (6.04451e-08% change) linmin: converged after 14 iterations. iteration 20: trace = 6.28197156080664 (2.38389e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.281971560352623 (7.22729e-09% change) linmin: converged after 21 iterations. iteration 22: trace = 6.281971560186314 (2.64741e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120156 (1.05314e-09% change) linmin: converged after 16 iterations. iteration 24: trace = 6.281971560091678 (4.53324e-10% change) linmin: converged after 5 iterations. iteration 25: trace = 6.281971560080308 (1.81001e-10% change) linmin: converged after 16 iterations. iteration 26: trace = 6.281971560075123 (8.25407e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.26636385917663574 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369051 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355477 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834684 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800534 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.284072271310366 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.28370405661725 (0.00585966% change) linmin: converged after 4 iterations. iteration 7: trace = 6.283258527034464 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.28301488213956 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341745 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167347959 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.282747004996446 (0.000846161% change) linmin: converged after 4 iterations. iteration 12: trace = 6.28270355706248 (0.000691546% change) linmin: converged after 4 iterations. iteration 13: trace = 6.282682229335339 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130393071 (0.000112992% change) linmin: converged after 4 iterations. iteration 15: trace = 6.282672608965456 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548713 (8.15603e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282671912329278 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.282671841190032 (1.13231e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282671801233785 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010519 (3.53723e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.282671770784772 (1.30928e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.282671767753028 (4.82556e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 6.282671766763952 (1.57429e-08% change) linmin: converged after 19 iterations. iteration 24: trace = 6.282671766458808 (4.85691e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 6.28267176633698 (1.93911e-09% change) linmin: converged after 15 iterations. iteration 26: trace = 6.282671766260679 (1.21446e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 6.282671766201562 (9.40956e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 6.282671766155278 (7.36705e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 6.28267176613306 (3.53636e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 6.282671766123546 (1.51421e-10% change) linmin: converged after 12 iterations. iteration 31: trace = 6.282671766119806 (5.95307e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.35982680320739746 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.323058524512513 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025498964 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930507466 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212721027 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136229536 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468398227 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340677034 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082630855 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272766045 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255126 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455877 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.29452480921535 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924449 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016282 (0.0003036% change) linmin: converged after 6 iterations. iteration 15: trace = 6.294411189092596 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263544 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985889 (2.37874e-05% change) linmin: converged after 25 iterations. iteration 18: trace = 6.294406459003854 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379164 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788346 (2.55133e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 6.294405782629286 (6.85673e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766447003 (2.5709e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 6.294405751369228 (2.39542e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 6.29440573348497 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045209 (2.29406e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 6.294405712361772 (1.06181e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179675 (3.46672e-08% change) linmin: converged after 6 iterations. iteration 28: trace = 6.294405708996516 (1.8797e-08% change) linmin: converged after 19 iterations. iteration 29: trace = 6.294405707877625 (1.7776e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 6.294405706286294 (2.52817e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 6.294405704817213 (2.33395e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 6.294405704102938 (1.13478e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 6.294405703768724 (5.30971e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 6.294405703545726 (3.54279e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 6.29440570340198 (2.28372e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 6.294405703320326 (1.29724e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 6.294405703286793 (5.32732e-10% change) linmin: converged after 14 iterations. iteration 38: trace = 6.294405703273487 (2.11405e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 6.294405703268604 (7.7566e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.6620609760284424 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176924106 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727762365 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114859846 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147409 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595597 (0.00460038% change) linmin: converged after 4 iterations. iteration 6: trace = 6.296498469687445 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296474114150638 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.29646889484148 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009886 (1.16229e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.296467941171227 (3.52322e-06% change) linmin: converged after 15 iterations. iteration 11: trace = 6.296467865329775 (1.20451e-06% change) linmin: converged after 6 iterations. iteration 12: trace = 6.296467833969866 (4.98056e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809830024 (3.83387e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 6.296467783022488 (4.25755e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296467750315625 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879389 (3.56331e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.29646771675302 (1.76708e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.29646770768874 (1.43958e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 6.296467699980608 (1.2242e-07% change) linmin: converged after 32 iterations. iteration 20: trace = 6.296467694261513 (9.08302e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 6.296467691403798 (4.5386e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.296467690402606 (1.59009e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296467690046347 (5.65808e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824299 (3.52655e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 6.296467689597053 (3.6091e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.296467689392044 (3.25594e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 6.296467689305396 (1.37614e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 6.296467689279554 (4.10413e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 6.296467689270651 (1.41398e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.3995175361633301 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.309755869234942 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785319239 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009964 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028791 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.30194996262434 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411508 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018783 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.301848087262018 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960346 (1.86501e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 6.30184638821696 (8.31095e-06% change) linmin: converged after 14 iterations. iteration 11: trace = 6.301846085008095 (4.81143e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 6.301845888867813 (3.11243e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 6.301845757623029 (2.08264e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.301845698619641 (9.36287e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235499 (4.82147e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 6.301845649790851 (2.92686e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.301845629320326 (3.24834e-07% change) linmin: converged after 20 iterations. iteration 18: trace = 6.301845601849118 (4.35923e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.30184557957957 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110172 (1.97869e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.301845561609782 (8.72822e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 6.301845559125029 (3.9429e-08% change) linmin: converged after 26 iterations. iteration 23: trace = 6.301845557289971 (2.91194e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.301845555247247 (3.24147e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 6.301845553038586 (3.50479e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 6.301845551683965 (2.14956e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.301845551182741 (7.95361e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.301845550984633 (3.14365e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 6.301845550903852 (1.28187e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 6.301845550857776 (7.31151e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.301845550833527 (3.84779e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 6.301845550825483 (1.27649e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 6.301845550822884 (4.12389e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.39157795906066895 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115577766 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197736801 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572933918 (0.0226062% change) linmin: converged after 4 iterations. iteration 4: trace = 6.309473827664503 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.30928720892469 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.309229226565022 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973780164 (0.000416102% change) linmin: converged after 4 iterations. iteration 8: trace = 6.309194406599072 (0.000135789% change) linmin: converged after 5 iterations. iteration 9: trace = 6.309190349197984 (6.43094e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.309187375962607 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.30918556745495 (2.86647e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.309184755086968 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575303 (4.88988e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 6.309184352025246 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.30918430057938 (8.15412e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.309184257672681 (6.80067e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.309184198715846 (9.34461e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.309184133927398 (1.02689e-06% change) linmin: converged after 12 iterations. iteration 19: trace = 6.309184099681187 (5.42799e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 6.309184084106039 (2.46865e-07% change) linmin: converged after 26 iterations. iteration 21: trace = 6.309184076911333 (1.14035e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 6.309184072438011 (7.09018e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.309184068130069 (6.82805e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.309184063212667 (7.79404e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450055 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362626 (8.06353e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652952 (4.29481e-08% change) linmin: converged after 26 iterations. iteration 28: trace = 6.309184047348849 (2.06699e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.309184046823368 (8.32883e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.309184046545841 (4.39878e-09% change) linmin: converged after 10 iterations. iteration 31: trace = 6.309184046419699 (1.99934e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 6.309184046373007 (7.40071e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.309184046358348 (2.32336e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.309184046353366 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.6596591472625732 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.325727801940259 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470988943 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550844906 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553853015 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349126587 (0.00226642% change) linmin: converged after 9 iterations. iteration 6: trace = 6.318420288429564 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042073024 (0.000731932% change) linmin: converged after 3 iterations. iteration 8: trace = 6.318349508618641 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411522447 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246606891 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.318325584767026 (4.21289e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.318324523260558 (1.68004e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.318324118770666 (6.40185e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928379867 (3.01331e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717792381 (3.33296e-06% change) linmin: converged after 19 iterations. iteration 16: trace = 6.318323450131608 (4.23626e-06% change) linmin: converged after 29 iterations. iteration 17: trace = 6.318323137017602 (4.95565e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 6.318322959162352 (2.81491e-06% change) linmin: converged after 15 iterations. iteration 19: trace = 6.318322903495067 (8.81045e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.318322888313306 (2.40282e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797148 (7.14772e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181372 (2.55729e-08% change) linmin: converged after 19 iterations. iteration 23: trace = 6.318322881394604 (1.24522e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.31832288096414 (6.81294e-09% change) linmin: converged after 14 iterations. iteration 25: trace = 6.318322880605004 (5.68404e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 6.318322880209585 (6.2583e-09% change) linmin: converged after 12 iterations. iteration 27: trace = 6.318322879598523 (9.67126e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.318322878497067 (1.74327e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 6.318322877602419 (1.41596e-08% change) linmin: converged after 7 iterations. iteration 30: trace = 6.318322877083814 (8.20796e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38009e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 6.318322876668267 (2.19676e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.318322876613931 (8.59976e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598196 (2.49037e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 6.318322876593959 (6.70528e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 1.7861425876617432 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568273563 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094106543 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309749285 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591206184 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210133105 (0.00280185% change) linmin: converged after 4 iterations. iteration 6: trace = 6.330643969745182 (0.00188353% change) linmin: converged after 7 iterations. iteration 7: trace = 6.330526348088815 (0.00185799% change) linmin: converged after 9 iterations. iteration 8: trace = 6.330475545152379 (0.000802511% change) linmin: converged after 5 iterations. iteration 9: trace = 6.330456130062276 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155825169 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917464734 (5.11553e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.330441968324333 (4.65866e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826354985 (4.96327e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 6.330433859932759 (7.84531e-05% change) large trace change predicted (0.000173114%) linmin: converged after 4 iterations. iteration 15: trace = 6.330422901996404 (0.000173099% change) linmin: converged after 13 iterations. iteration 16: trace = 6.330408494621334 (0.00022759% change) linmin: converged after 10 iterations. iteration 17: trace = 6.330393091515765 (0.00024332% change) linmin: converged after 8 iterations. iteration 18: trace = 6.330384367669897 (0.000137809% change) linmin: converged after 5 iterations. iteration 19: trace = 6.330379301918191 (8.00228e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 6.330373672537788 (8.89265e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925711688 (0.000227719% change) large trace change predicted (0.000970825%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260481687 (0.000963562% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731167277 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824560669169 (0.00436291% change) linmin: converged after 5 iterations. iteration 25: trace = 6.329581571952482 (0.00383886% change) linmin: converged after 5 iterations. iteration 26: trace = 6.329442197598539 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644332749 (0.00116209% change) linmin: converged after 5 iterations. iteration 28: trace = 6.329332394988497 (0.000572718% change) linmin: converged after 3 iterations. iteration 29: trace = 6.329321990471123 (0.000164386% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097347949 (4.57099e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299607442 (1.26039e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993542917 (4.83566e-06% change) linmin: converged after 4 iterations. iteration 33: trace = 6.329317822613507 (2.7006e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 6.329317711379944 (1.75743e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 6.329317633985248 (1.2228e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 6.329317560348376 (1.16343e-06% change) linmin: converged after 4 iterations. iteration 37: trace = 6.329317473896849 (1.36589e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.329317376023511 (1.54635e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.329317304048638 (1.13717e-06% change) linmin: converged after 20 iterations. iteration 40: trace = 6.329317262501004 (6.56432e-07% change) linmin: converged after 13 iterations. iteration 41: trace = 6.329317230428979 (5.06722e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 6.329317195147421 (5.57431e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 6.329317162807834 (5.10949e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.329317144664432 (2.86657e-07% change) linmin: converged after 3 iterations. iteration 45: trace = 6.329317134212405 (1.65137e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.329317125602803 (1.36027e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115402302 (1.61163e-07% change) linmin: converged after 27 iterations. iteration 48: trace = 6.329317101062574 (2.2656e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075101963 (4.10164e-07% change) large trace change predicted (8.60944e-07%) linmin: converged after 3 iterations. iteration 50: trace = 6.329317020608579 (8.60968e-07% change) large trace change predicted (2.13456e-06%) linmin: converged after 9 iterations. iteration 51: trace = 6.329316885496082 (2.13471e-06% change) large trace change predicted (4.2949e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613612705 (4.29562e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.329316332906846 (4.43501e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191081878 (2.24076e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 6.32931614372443 (7.48224e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.329316126919443 (2.6551e-07% change) linmin: converged after 6 iterations. iteration 57: trace = 6.329316120011327 (1.09145e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 6.329316116848773 (4.99668e-08% change) linmin: converged after 20 iterations. iteration 59: trace = 6.329316115402366 (2.28525e-08% change) linmin: converged after 9 iterations. iteration 60: trace = 6.329316114739406 (1.04744e-08% change) linmin: converged after 3 iterations. iteration 61: trace = 6.329316114244389 (7.82102e-09% change) linmin: converged after 4 iterations. iteration 62: trace = 6.3293161135684 (1.06803e-08% change) linmin: converged after 3 iterations. iteration 63: trace = 6.329316112498431 (1.6905e-08% change) linmin: converged after 9 iterations. iteration 64: trace = 6.329316111377672 (1.77074e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 6.329316110808026 (9.00011e-09% change) linmin: converged after 2 iterations. iteration 66: trace = 6.329316110611606 (3.10333e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.329316110525212 (1.365e-09% change) linmin: converged after 6 iterations. iteration 68: trace = 6.329316110484261 (6.46995e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.329316110466016 (2.88261e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.329316110458556 (1.17861e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 6.329316110451488 (1.11673e-10% change) linmin: converged after 7 iterations. iteration 72: trace = 6.329316110445844 (8.91783e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 2.0511474609375 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535431693 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987388075 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715447823059 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752065782 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423964680593 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418548922326 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762759999449 (0.0103029% change) linmin: converged after 4 iterations. iteration 8: trace = 6.364505249229151 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.364314497681505 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.364187770892523 (0.00199123% change) linmin: converged after 3 iterations. iteration 11: trace = 6.36410595076039 (0.00128564% change) large trace change predicted (0.00305012%) linmin: converged after 4 iterations. iteration 12: trace = 6.36391198160371 (0.00304791% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499472866372 (0.0379164% change) linmin: converged after 8 iterations. iteration 14: trace = 6.360271325529997 (0.0193078% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373291537883 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.358557295478533 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758927026562 (0.0125566% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950307840992 (0.0127194% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112112795485 (0.0131864% change) linmin: converged after 6 iterations. iteration 20: trace = 6.355220969436071 (0.0140212% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246211016584 (0.0153391% change) linmin: converged after 5 iterations. iteration 22: trace = 6.353159776039549 (0.0170992% change) linmin: converged after 7 iterations. iteration 23: trace = 6.351960807110574 (0.0188738% change) linmin: converged after 7 iterations. iteration 24: trace = 6.350699336611381 (0.0198615% change) linmin: converged after 6 iterations. iteration 25: trace = 6.349457970809835 (0.0195488% change) linmin: converged after 12 iterations. iteration 26: trace = 6.348291496795811 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.347197780520771 (0.01723% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140545397229 (0.0166581% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081316100098 (0.0166923% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999150537135 (0.0170566% change) linmin: converged after 11 iterations. iteration 31: trace = 6.342897854975543 (0.0173611% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800543208067 (0.0173013% change) linmin: converged after 5 iterations. iteration 33: trace = 6.340734046866883 (0.0168183% change) linmin: converged after 6 iterations. iteration 34: trace = 6.339713523603072 (0.016096% change) linmin: converged after 6 iterations. iteration 35: trace = 6.338736821845593 (0.0154073% change) linmin: converged after 5 iterations. iteration 36: trace = 6.337788208529606 (0.0149665% change) linmin: converged after 5 iterations. iteration 37: trace = 6.336845558009598 (0.0148746% change) linmin: converged after 7 iterations. iteration 38: trace = 6.335887372334167 (0.015122% change) linmin: converged after 9 iterations. iteration 39: trace = 6.334899599369598 (0.0155913% change) linmin: converged after 7 iterations. iteration 40: trace = 6.333883184688581 (0.016046% change) linmin: converged after 7 iterations. iteration 41: trace = 6.332860566765648 (0.0161465% change) linmin: converged after 9 iterations. iteration 42: trace = 6.331873661811921 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.33096667383102 (0.0143252% change) linmin: converged after 6 iterations. iteration 44: trace = 6.33016416330598 (0.0126768% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464243786372 (0.0110575% change) linmin: converged after 5 iterations. iteration 46: trace = 6.328847714645648 (0.0097411% change) linmin: converged after 4 iterations. iteration 47: trace = 6.328289714925467 (0.00881716% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766753579587 (0.00826421% change) linmin: converged after 4 iterations. iteration 49: trace = 6.327259695678827 (0.00801354% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326754930814678 (0.00797794% change) linmin: converged after 5 iterations. iteration 51: trace = 6.326244939237431 (0.0080612% change) linmin: converged after 4 iterations. iteration 52: trace = 6.325728279358979 (0.00816726% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208403198646 (0.00821878% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691063138785 (0.00817935% change) linmin: converged after 4 iterations. iteration 55: trace = 6.32418118692711 (0.008062% change) linmin: converged after 4 iterations. iteration 56: trace = 6.323680720055245 (0.00791386% change) linmin: converged after 5 iterations. iteration 57: trace = 6.323188207564968 (0.00778869% change) linmin: converged after 4 iterations. iteration 58: trace = 6.322699669604506 (0.00772643% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322209817224103 (0.00774782% change) linmin: converged after 5 iterations. iteration 60: trace = 6.321712900253885 (0.00786017% change) linmin: converged after 6 iterations. iteration 61: trace = 6.321202926367611 (0.00806735% change) linmin: converged after 4 iterations. iteration 62: trace = 6.320673342464566 (0.00837825% change) linmin: converged after 4 iterations. iteration 63: trace = 6.320116495833693 (0.00881031% change) linmin: converged after 6 iterations. iteration 64: trace = 6.31952331981454 (0.00938596% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318883763286119 (0.0101208% change) linmin: converged after 9 iterations. iteration 66: trace = 6.318188527516085 (0.0110031% change) linmin: converged after 5 iterations. iteration 67: trace = 6.317432501996123 (0.0119666% change) linmin: converged after 5 iterations. iteration 68: trace = 6.316619400017982 (0.0128716% change) linmin: converged after 5 iterations. iteration 69: trace = 6.31576525958499 (0.013523% change) resetting CG direction... large trace change predicted (0.188894%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775090071561 (0.190025% change) linmin: converged after 4 iterations. iteration 71: trace = 6.300360009988371 (0.0541898% change) linmin: converged after 4 iterations. iteration 72: trace = 6.2993202263861 (0.0165049% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061164639578 (0.00411262% change) linmin: converged after 4 iterations. iteration 74: trace = 6.298946763523908 (0.00181618% change) linmin: converged after 3 iterations. iteration 75: trace = 6.298877887184586 (0.00109346% change) linmin: converged after 3 iterations. iteration 76: trace = 6.298793450524222 (0.00134051% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725853393434 (0.00107318% change) linmin: converged after 3 iterations. iteration 78: trace = 6.298682938988913 (0.000681321% change) linmin: converged after 3 iterations. iteration 79: trace = 6.298642211923884 (0.000646599% change) linmin: converged after 4 iterations. iteration 80: trace = 6.298616553153074 (0.000407371% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604025971825 (0.000198888% change) linmin: converged after 4 iterations. iteration 82: trace = 6.298598786038635 (8.3192e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.298597355342004 (2.27145e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365324103 (1.57181e-05% change) linmin: converged after 5 iterations. iteration 85: trace = 6.298595760103827 (9.60881e-06% change) linmin: converged after 6 iterations. iteration 86: trace = 6.298595315604913 (7.05711e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.298595099401775 (3.43256e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 6.298595020041071 (1.25997e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974710794 (7.19689e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.298594929349981 (7.20174e-07% change) linmin: converged after 10 iterations. iteration 91: trace = 6.298594895490876 (5.37566e-07% change) linmin: converged after 6 iterations. iteration 92: trace = 6.298594877347623 (2.88052e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821352 (1.35368e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524697 (6.82161e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.298594862453037 (3.28908e-08% change) linmin: converged after 9 iterations. iteration 96: trace = 6.298594861905924 (8.68626e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 6.298594861732281 (2.75686e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.29859486168568 (7.39863e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.298594861667199 (2.93404e-10% change) linmin: converged after 3 iterations. iteration 100: trace = 6.29859486165808 (1.44791e-10% change) linmin: converged after 3 iterations. iteration 101: trace = 6.298594861654141 (6.25248e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 2.564229965209961 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.306563987164974 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233353997 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.28554039432207 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833050681 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247916151 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170514 (0.0037802% change) linmin: converged after 8 iterations. iteration 7: trace = 6.282637992351901 (0.00134898% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282617671090359 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408557 (8.25561e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282610016564467 (3.92805e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 6.282609109449685 (1.44385e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.282608783832876 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505962 (1.99482e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.282608607802808 (8.0704e-07% change) linmin: converged after 6 iterations. iteration 15: trace = 6.282608579576463 (4.49277e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246179 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481407 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131914 (5.33137e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282608553958248 (1.86812e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.282608553518155 (7.00495e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 6.282608553300053 (3.47152e-09% change) linmin: converged after 8 iterations. iteration 22: trace = 6.282608553188995 (1.7677e-09% change) linmin: converged after 7 iterations. iteration 23: trace = 6.282608553137475 (8.20036e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 6.282608553118514 (3.01799e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.28260855311304 (8.71411e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.7547297477722168 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317975067843454 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191717848 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438393576 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221418354 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183231 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857600846 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.29685998023291 (0.00107795% change) linmin: converged after 4 iterations. iteration 8: trace = 6.2968404809401 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565328 (8.51598e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.296832556246108 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029668 (1.76155e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296831011555442 (6.91577e-06% change) linmin: converged after 12 iterations. iteration 13: trace = 6.296830859588102 (2.41339e-06% change) linmin: converged after 23 iterations. iteration 14: trace = 6.296830816318607 (6.87163e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.296830799715166 (2.63679e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296830794163743 (8.81622e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 6.296830791811521 (3.73556e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 6.296830790795291 (1.61387e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.296830790487546 (4.88731e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 6.296830790381238 (1.68828e-09% change) linmin: converged after 7 iterations. iteration 21: trace = 6.296830790332559 (7.73062e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 6.296830790305159 (4.35144e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.296830790293803 (1.80349e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296830790289762 (6.41644e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.7326395511627197 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112054745 (0.562684% change) linmin: converged after 6 iterations. iteration 2: trace = 6.360316161576927 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912854145 (0.0442096% change) linmin: converged after 4 iterations. iteration 4: trace = 6.356585097685498 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.356232830306016 (0.00554192% change) linmin: converged after 3 iterations. iteration 6: trace = 6.356142086160644 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254703358 (0.000783992% change) linmin: converged after 4 iterations. iteration 8: trace = 6.356067894802459 (0.000383254% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959422965 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445718 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803914 (3.17279e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.356050456386642 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440095 (6.02491e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.35604996737673 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529141 (7.52788e-07% change) linmin: converged after 17 iterations. iteration 16: trace = 6.356049901388714 (2.85404e-07% change) linmin: converged after 9 iterations. iteration 17: trace = 6.356049892735012 (1.36149e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.356049887839806 (7.70165e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 6.356049885346998 (3.92194e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 6.356049883857848 (2.34289e-08% change) linmin: converged after 6 iterations. iteration 21: trace = 6.356049883361596 (7.80755e-09% change) linmin: converged after 11 iterations. iteration 22: trace = 6.356049883209116 (2.39897e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.356049883160931 (7.58104e-10% change) linmin: converged after 16 iterations. iteration 24: trace = 6.356049883141618 (3.03845e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 6.356049883134008 (1.19727e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.356049883130337 (5.77535e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.6514766216278076 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768767364 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173735398 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167063994 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479662726 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016952319 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507053553 (0.000950981% change) linmin: converged after 3 iterations. iteration 7: trace = 6.467983140882485 (0.000562247% change) linmin: converged after 5 iterations. iteration 8: trace = 6.467960050006919 (0.000357003% change) linmin: converged after 5 iterations. iteration 9: trace = 6.467927172636418 (0.000508313% change) linmin: converged after 5 iterations. iteration 10: trace = 6.467898270580587 (0.000446853% change) linmin: converged after 5 iterations. iteration 11: trace = 6.467871940836146 (0.000407084% change) linmin: converged after 10 iterations. iteration 12: trace = 6.467850751198293 (0.000327614% change) linmin: converged after 5 iterations. iteration 13: trace = 6.467835734516537 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737194752 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038461 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 5 iterations. iteration 16: trace = 6.467537992289294 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 9 iterations. switching to approximate line minimization (decrease time by 98.8838%) iteration 17: trace = 6.467054240855574 (0.00747996% change) iteration 18: trace = 6.46668658835904 (0.00568517% change) iteration 19: trace = 6.466508628910078 (0.00275198% change) iteration 20: trace = 6.466439720247081 (0.00106563% change) iteration 21: trace = 6.466418815287997 (0.000323284% change) iteration 22: trace = 6.466412592846411 (9.62271e-05% change) iteration 23: trace = 6.466410795807796 (2.77904e-05% change) iteration 24: trace = 6.466409815321277 (1.51628e-05% change) iteration 25: trace = 6.466408870620763 (1.46094e-05% change) iteration 26: trace = 6.466407935609094 (1.44595e-05% change) iteration 27: trace = 6.466407481508658 (7.02245e-06% change) iteration 28: trace = 6.466407270319273 (3.26595e-06% change) iteration 29: trace = 6.4664071752516 (1.47018e-06% change) iteration 30: trace = 6.466407133837285 (6.40453e-07% change) iteration 31: trace = 6.466407115400838 (2.85111e-07% change) iteration 32: trace = 6.466407101202824 (2.19566e-07% change) iteration 33: trace = 6.466407076188096 (3.86841e-07% change) iteration 34: trace = 6.466407017833187 (9.02432e-07% change) iteration 35: trace = 6.466406875168036 (2.20625e-06% change) iteration 36: trace = 6.466406542452361 (5.14529e-06% change) iteration 37: trace = 6.466406096979735 (6.88903e-06% change) iteration 38: trace = 6.466405835756984 (4.03969e-06% change) iteration 39: trace = 6.46640575466132 (1.25411e-06% change) iteration 40: trace = 6.466405728624127 (4.02653e-07% change) iteration 41: trace = 6.466405718867272 (1.50885e-07% change) iteration 42: trace = 6.466405713271247 (8.654e-08% change) iteration 43: trace = 6.466405709155314 (6.3651e-08% change) iteration 44: trace = 6.466405706431201 (4.21272e-08% change) iteration 45: trace = 6.466405703694334 (4.23244e-08% change) iteration 46: trace = 6.466405701028716 (4.12226e-08% change) iteration 47: trace = 6.466405699110705 (2.96612e-08% change) iteration 48: trace = 6.466405698137693 (1.50472e-08% change) iteration 49: trace = 6.466405697131083 (1.55668e-08% change) iteration 50: trace = 6.466405694658881 (3.82315e-08% change) iteration 51: trace = 6.466405687160525 (1.15959e-07% change) iteration 52: trace = 6.466405671588654 (2.40812e-07% change) iteration 53: trace = 6.46640564323933 (4.38409e-07% change) iteration 54: trace = 6.466405600292127 (6.64159e-07% change) iteration 55: trace = 6.466405566992444 (5.14964e-07% change) iteration 56: trace = 6.466405554038948 (2.0032e-07% change) iteration 57: trace = 6.466405549781952 (6.58325e-08% change) iteration 58: trace = 6.466405548105342 (2.5928e-08% change) iteration 59: trace = 6.466405547328066 (1.20202e-08% change) iteration 60: trace = 6.466405547047682 (4.33602e-09% change) iteration 61: trace = 6.466405546915742 (2.04039e-09% change) iteration 62: trace = 6.466405546857715 (8.97367e-10% change) iteration 63: trace = 6.466405546818423 (6.07621e-10% change) iteration 64: trace = 6.466405546781784 (5.66607e-10% change) iteration 65: trace = 6.466405546742878 (6.0166e-10% change) iteration 66: trace = 6.466405546696048 (7.24206e-10% change) iteration 67: trace = 6.466405546652112 (6.79456e-10% change) iteration 68: trace = 6.466405546612038 (6.19722e-10% change) iteration 69: trace = 6.466405546569404 (6.59321e-10% change) resetting CG direction... iteration 70: trace = 6.466405546543699 (3.97513e-10% change) iteration 71: trace = 6.466405546512505 (4.8241e-10% change) iteration 72: trace = 6.466405546479312 (5.13315e-10% change) iteration 73: trace = 6.466405546440409 (6.01605e-10% change) iteration 74: trace = 6.466405546403638 (5.68654e-10% change) iteration 75: trace = 6.466405546374104 (4.56725e-10% change) iteration 76: trace = 6.466405546352138 (3.39701e-10% change) iteration 77: trace = 6.46640554632435 (4.29722e-10% change) iteration 78: trace = 6.466405546263972 (9.33724e-10% change) iteration 79: trace = 6.466405546147883 (1.79526e-09% change) iteration 80: trace = 6.466405545944011 (3.15279e-09% change) iteration 81: trace = 6.466405545711322 (3.59842e-09% change) iteration 82: trace = 6.466405545507472 (3.15245e-09% change) iteration 83: trace = 6.466405545378097 (2.00072e-09% change) iteration 84: trace = 6.466405545307321 (1.09452e-09% change) iteration 85: trace = 6.46640554527808 (4.52193e-10% change) iteration 86: trace = 6.46640554526855 (1.47379e-10% change) iteration 87: trace = 6.466405545265697 (4.41177e-11% change) Finished solving for bands 2 to 8 after 87 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 2.551513910293579 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972587 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.520318359084095 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454898 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618165 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674931 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140893 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606963 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425896599 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418333 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707192 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364353 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618165) to band 4 (0.8161730293674931), 3.5013177610968342% Gap from band 5 (0.9220849425896599) to band 6 (1.0168656683915518), 9.776497169665177% Gap from band 7 (1.1593702273707192) to band 8 (1.1636719050364353), 0.37034865667792816% total elapsed time for run: 16.181671380996704 done /tmp/meep4PaIBY/test_honey_rods-0: 24.14s /tmp/meep4PaIBY/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.019916057586669922 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531371 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581362 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025028 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197147 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624338 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438204 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436873 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528694 (0.000382526% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2804485287729162 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540451 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314656 (9.35138e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2804485089210546 (7.50266e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2804485089016316 (6.92566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974183 (1.50234e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.280448508897056 (1.29213e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969927 (2.25648e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494002308 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927554 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496591 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329314 (4.76092% change) linmin: converged after 6 iterations. iteration 5: trace = 1.226166609693982 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652076 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880585 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833321 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073517 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209398 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.21494306055586 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188201 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082433 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607448 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484555 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880448 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511907 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769636 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965011612 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915321 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314501 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935235 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049092 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.21180954111795 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378119 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161125 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648681 (0.00327605% change) linmin: converged after 3 iterations. iteration 30: trace = 1.211675291898183 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.211662280999265 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382935975 (0.00155969% change) linmin: converged after 4 iterations. iteration 33: trace = 1.21162659993771 (0.00138515% change) linmin: converged after 6 iterations. iteration 34: trace = 1.21161407808561 (0.00103348% change) linmin: converged after 9 iterations. iteration 35: trace = 1.211602453572232 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303616196 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448980703 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613228861 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534410096 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234652 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638785 (6.03831e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891729974 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312141 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153448 (4.8002e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031559 (3.64165e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.211589594611466 (3.66627e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398538 (2.16352e-06% change) linmin: converged after 2 iterations. iteration 48: trace = 1.211589556366786 (9.93055e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 1.211589549124783 (5.97727e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167536 (4.09152e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501808 (3.85091e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344353 (5.08213e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.2115895245724 (7.24004e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683372 (4.86058e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923037 (2.27828e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935396 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905531 (2.50074e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 1.211589507242201 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813927 (2.00421e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.211589503458421 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828578 (5.19848e-08% change) linmin: converged after 24 iterations. iteration 62: trace = 1.211589502438186 (3.22214e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003778 (3.58544e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370286 (5.2286e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031969 (2.79234e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878294 (1.26838e-08% change) linmin: converged after 18 iterations. iteration 67: trace = 1.211589500792745 (7.06086e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767784 (2.06018e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755964 (9.75586e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 1.211589500751477 (3.7031e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746379 (4.20745e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.21158950073995 (5.3065e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.211589500735595 (3.59424e-10% change) linmin: converged after 15 iterations. iteration 74: trace = 1.211589500732076 (2.90515e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.211589500730084 (1.64409e-10% change) linmin: converged after 11 iterations. iteration 76: trace = 1.211589500729295 (6.50599e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 2.5692243576049805 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091571 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650498 (0.0642985% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1858522794619532 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945271 (2.8278e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930405 (7.99891e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37482e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387591 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.33063762646289 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522661 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054412 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994526 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351137 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191756 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891683 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847602 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.321725729409737 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.32171560796717 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062121 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509397 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.32171316783871 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347692 (3.61267e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.321712534925773 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068789 (6.37339e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022149 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288242 (6.94053e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.321712123338643 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292177 (7.8721e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507829 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564235 (1.46737e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307098 (8.342e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 1.32171148827869 (3.6338e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300697 (1.28455e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.321711467138154 (3.14936e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116505 (7.72975e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723412 (2.97412e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580959 (1.07779e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.321711465510915 (5.29947e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480889 (2.27175e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470897 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466495 (3.33089e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.32171146546497 (1.15398e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463821 (8.68885e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 1.9745831489562988 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841857 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.6733e-09% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2385111399178055 (4.83867e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670014931 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404607837 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076151315 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425802998 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727769513 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321381881 (0.00397664% change) linmin: converged after 21 iterations. iteration 7: trace = 1.317816402663161 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033886662 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113944952 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254181904 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412532883 (6.38679e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 1.317796108435783 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055321211 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024477034 (2.34059e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013257453 (8.5139e-07% change) linmin: converged after 23 iterations. iteration 16: trace = 1.317796004201295 (6.8722e-07% change) large trace change predicted (1.71406e-06%) linmin: converged after 3 iterations. iteration 17: trace = 1.317795981613608 (1.71405e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944624388 (2.8069e-06% change) large trace change predicted (6.37234e-06%) linmin: converged after 8 iterations. iteration 19: trace = 1.317795860651614 (6.37221e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380738 (6.31895e-06% change) linmin: converged after 32 iterations. iteration 21: trace = 1.317795748000609 (2.22949e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.317795733123444 (1.12894e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.317795727441454 (4.31174e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798878 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846541 (7.22674e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608524 (1.80617e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99815e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.31779572343886 (4.87671e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.317795723419225 (1.48995e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411641 (5.75501e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409147 (1.89273e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.317795723408442 (5.35315e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 1.9599547386169434 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398265 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848054 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286766 (2.99587e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3098213371284358 (7.77246e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189060651 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993706477 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436105089 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168194402 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376361817 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612816993 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.30692104687625 (0.00356296% change) linmin: converged after 8 iterations. iteration 8: trace = 1.306903167954464 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582410012 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468922138 (0.000161718% change) linmin: converged after 5 iterations. iteration 11: trace = 1.306893729338946 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106680217 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656103195 (3.4477e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370720252 (2.18368e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063537916 (2.35048e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 1.306891774918915 (2.20844e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306571564 (3.58367e-05% change) large trace change predicted (0.0001439%) linmin: converged after 4 iterations. iteration 18: trace = 1.306889428974656 (0.000143669% change) large trace change predicted (0.000647089%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342171474 (0.000618784% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864904205 (0.00302077% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317233515 (0.00210798% change) linmin: converged after 6 iterations. iteration 22: trace = 1.306780215571889 (0.00260956% change) linmin: converged after 9 iterations. iteration 23: trace = 1.306736702748669 (0.00332983% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761476099 (0.0022148% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694949828091 (0.000980457% change) linmin: converged after 4 iterations. iteration 26: trace = 1.30668757171687 (0.000564641% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169654682 (0.000336888% change) linmin: converged after 4 iterations. iteration 28: trace = 1.306680460975612 (0.000207294% change) linmin: converged after 4 iterations. iteration 29: trace = 1.306678613935068 (0.000141354% change) linmin: converged after 3 iterations. iteration 30: trace = 1.306677292065234 (0.000101163% change) linmin: converged after 6 iterations. iteration 31: trace = 1.306676263755384 (7.86966e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.306675403278145 (6.58524e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672970374 (5.58905e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 1.306674108884319 (4.31696e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737709854 (2.84061e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.306673513940721 (1.71251e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362527367 (1.15877e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 1.306673228425955 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109717042 (9.08482e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.306673026782846 (6.34697e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971288233 (4.24702e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203616 (3.06769e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 1.306672900421495 (2.35576e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.306672873955922 (2.02542e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 1.306672849955027 (1.83679e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.306672828035896 (1.67748e-06% change) linmin: converged after 21 iterations. iteration 47: trace = 1.306672808497717 (1.49526e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 1.306672792920187 (1.19215e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.30667278073184 (9.32777e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.306672769623505 (8.50124e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.30667275827252 (8.68694e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 1.306672746664947 (8.88331e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.306672734231314 (9.51549e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 1.306672719747275 (1.10847e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 1.306672703451232 (1.24714e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 1.306672685743829 (1.35515e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664172661 (1.65085e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.306672633622723 (2.33799e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 1.306672591449286 (3.22754e-06% change) linmin: converged after 15 iterations. iteration 60: trace = 1.306672545946202 (3.48236e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 1.306672503494355 (3.24885e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460331878 (3.30324e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 1.306672416045949 (3.38921e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371448651 (3.41304e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322019688 (3.78281e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 1.306672266767598 (4.22846e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213731368 (4.05888e-06% change) linmin: converged after 9 iterations. iteration 68: trace = 1.306672169731838 (3.3673e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130569276 (2.99712e-06% change) resetting CG direction... large trace change predicted (6.25477e-06%) linmin: converged after 5 iterations. iteration 70: trace = 1.306672048840626 (6.25472e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012693929 (2.76632e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000098197 (9.63955e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995811054 (3.28096e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993004206 (2.14809e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990402459 (1.99112e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989145292 (9.62114e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988469853 (5.16916e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987976323 (3.777e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987242599 (5.61521e-08% change) large trace change predicted (1.12943e-07%) linmin: converged after 3 iterations. iteration 80: trace = 1.306671985766801 (1.12943e-07% change) large trace change predicted (2.49995e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982500196 (2.49994e-07% change) large trace change predicted (5.4192e-07%) linmin: converged after 13 iterations. iteration 82: trace = 1.306671975419139 (5.41915e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966776745 (6.61405e-07% change) linmin: converged after 24 iterations. iteration 84: trace = 1.306671961713351 (3.87503e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.306671959299024 (1.84769e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817022 (1.89948e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.30667195512776 (1.2928e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377645 (5.74065e-08% change) linmin: converged after 11 iterations. iteration 89: trace = 1.306671954035937 (2.6151e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899616 (1.04327e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.306671953836784 (4.80857e-09% change) linmin: converged after 2 iterations. iteration 92: trace = 1.306671953798474 (2.93184e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790935 (5.76951e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788971 (1.50355e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788115 (6.55086e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 9.765337228775024 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371676 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522109 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3749802404009222 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3749802403822894 (1.59096e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3749802403822776 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037461321 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309342349 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984129212 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.2878772301764 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339079885 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849723766 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287243285 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985881854 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768705405 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500864398 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726481115 (0.231794% change) linmin: converged after 7 iterations. iteration 12: trace = 1.27563734746484 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202245367086 (0.112564% change) linmin: converged after 7 iterations. iteration 14: trace = 1.273022593346836 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215540049 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536034896 (0.0576135% change) linmin: converged after 7 iterations. iteration 17: trace = 1.270883530901358 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409224059 (0.0208634% change) linmin: converged after 4 iterations. iteration 19: trace = 1.270378371119911 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933606682 (0.0215264% change) linmin: converged after 6 iterations. iteration 21: trace = 1.269895617099838 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882629827 (0.00887785% change) linmin: converged after 3 iterations. iteration 23: trace = 1.269719750601914 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766106199 (0.00338541% change) linmin: converged after 7 iterations. iteration 25: trace = 1.269642283512467 (0.00271589% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087274533 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472587991 (0.000914821% change) linmin: converged after 8 iterations. iteration 28: trace = 1.269600759456913 (0.000528758% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595125006646 (0.000443798% change) linmin: converged after 9 iterations. iteration 30: trace = 1.269590376565027 (0.000374013% change) linmin: converged after 5 iterations. iteration 31: trace = 1.269587297957729 (0.000242489% change) linmin: converged after 6 iterations. iteration 32: trace = 1.269585545816303 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427090121 (8.81175e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532466 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842748 (4.44784e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117841 (2.62862e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.269582517553401 (1.51675e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.269582385116398 (1.04315e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 1.269582283098437 (8.03555e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 1.269582214888568 (5.37262e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174660363 (3.16862e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 1.269582148208323 (2.08352e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127622132 (1.62149e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947448 (1.23463e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.269582102245771 (7.64163e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.26958209678698 (4.29968e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349534 (2.70754e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147356 (1.73457e-07% change) linmin: converged after 20 iterations. iteration 49: trace = 1.269582089806961 (1.05578e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919776 (6.98801e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275121 (5.07769e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760951 (4.04992e-08% change) linmin: converged after 12 iterations. iteration 53: trace = 1.269582087362723 (3.13669e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 1.269582087136648 (1.78071e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087016091 (9.49576e-09% change) linmin: converged after 9 iterations. iteration 56: trace = 1.269582086921614 (7.44162e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848892 (5.72801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810662 (3.01122e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 1.269582086792638 (1.4197e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781325 (8.91094e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771858 (7.45616e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763084 (6.91153e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 1.269582086756867 (4.89638e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753405 (2.72733e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751192 (1.74266e-10% change) linmin: converged after 9 iterations. iteration 66: trace = 1.269582086749747 (1.13857e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 1.269582086748959 (6.2053e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 5.31371545791626 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169223 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120757 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529454 (1.83672e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4024193537529305 (3.71068e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896079849 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793717 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101215 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273184 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.24004995523007 (0.00199281% change) linmin: converged after 4 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 13 iterations. iteration 7: trace = 1.240045445498693 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286182 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 29 iterations. iteration 10: trace = 1.240045258080157 (4.20958e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186147 (7.2095e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 1.240045257084782 (8.17431e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.2400452570647 (1.61945e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061235 (2.7939e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.24004525706096 (2.21857e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 2.0533485412597656 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meep4PaIBY/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% total elapsed time for run: 24.216652631759644 done /tmp/meep4PaIBY/test_line_defect-0: 24.35s /tmp/meep4PaIBY/test_list_split-0 ======================== /tmp/meep4PaIBY/test_list_split-0: 0.00s /tmp/meep4PaIBY/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.011039018630981445 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7237660884857178 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.857243299484253 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.4899568557739258 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.39124464988708496 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.4439430236816406 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5773129463195801 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2909061908721924 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.18666934967041016 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.15224313735961914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.25996875762939453 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.160414457321167 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.2491438388824463 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.17413067817687988 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.3750646114349365 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2438960075378418 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8539762496948242 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 7.442096948623657 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013833045959472656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.45994997024536133 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.7479283809661865 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.3995232582092285 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.21852517127990723 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.3509552478790283 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5726532936096191 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.5066492557525635 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.4446868896484375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3936269283294678 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4604465961456299 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.5114278793334961 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3950004577636719 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.42465806007385254 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6001513004302979 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.6179418563842773 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 1.1630079746246338 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 9.269698143005371 done /tmp/meep4PaIBY/test_load_and_save_eigenvectors-0: 16.72s /tmp/meep4PaIBY/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009338855743408203 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4898474331528383 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606197 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470987 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911654 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528238 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202496 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060447 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751921 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708315 (2.08559e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08522e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.020458459854125977 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886062 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837802 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046518 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630094 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068836 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810966 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596145 (0.0017462% change) linmin: converged after 15 iterations. iteration 12: trace = 0.2014078549180843 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973776658 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838687256 (0.000652171% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2014047218138699 (8.04623e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268015 (1.0321e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.2014046853812204 (7.76823e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.201404660765346 (1.22221e-05% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2014046519845329 (4.35979e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2014046509574838 (5.09943e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 0.2014046507829159 (8.66752e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702771 (1.55229e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 0.201404650217115 (1.25698e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2014046501748755 (2.09725e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695867 (2.62594e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671034 (1.23299e-09% change) large trace change predicted (2.54495e-09%) linmin: converged after 11 iterations. iteration 27: trace = 0.2014046501619765 (2.54556e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.201404650160167 (8.98439e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599492 (1.08167e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.08699369430541992 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853589348 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030555 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162396 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599346 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411779 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.187900730110987 (1.24012e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1879007300208395 (4.79761e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1879007300173998 (1.83059e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.016456127166748047 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.177090620447409 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153295 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1768576072264843 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062109 (0.000233816% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1768571846110659 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.17685718426356 (1.9649e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1768571842571168 (3.64315e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.176857184256887 (1.29897e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.026059865951538086 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697424 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.170163043820658 (2.22018e-06% change) linmin: converged after 26 iterations. iteration 6: trace = 0.1701630436796942 (8.28404e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771921 (1.47042e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.025517940521240234 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068113 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333087 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758051 (0.000126897% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1679542018800741 (1.66458e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1679542017770075 (6.13659e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1679542017749324 (1.23554e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.01723957061767578 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940615 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.172742290671633 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677768 (2.65501e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.03191065788269043 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524436 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738662 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 20 iterations. iteration 6: trace = 0.1859937688390201 (2.94233e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06808e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.025495529174804688 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.204398857278778 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067431 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.204142041499828 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.204142041329127 (1.90987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.013490438461303711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738396 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831465 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60144e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2207583578967375 (3.46633e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.022070884704589844 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851747 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168996 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171639 (4.34392e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2277122843860133 (1.36798e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2277122843842668 (7.66961e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.030055761337280273 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223285 (0.939334% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2194887472932667 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573113 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027366 (0.000487029% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 6 iterations. iteration 9: trace = 0.2194627106479067 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685689 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026465 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005199 (9.69019e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.04136538505554199 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2042021396248773 (4.90403e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55196e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.034079790115356445 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193463 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.195931385431126 (3.27138e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1959313854307266 (2.03834e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.01787567138671875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724111 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582411 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.200774994456563 (0.00194292% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2007748543968735 (6.97596e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2007748486133257 (2.88061e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2007748484344859 (8.90748e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304172 (2.02647e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2007748484302034 (1.06516e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.026560068130493164 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222841 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500319 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365138 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542949 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333473 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433784 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673797 (3.34939e-08% change) linmin: converged after 12 iterations. iteration 10: trace = 0.2090835122583799 (4.3044e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.209083512257221 (5.54292e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.019342899322509766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% total elapsed time for run: 0.45689988136291504 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001194000244140625 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737095 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702049 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884266781 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223981 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623742 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348133 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529311517259 (1.97846e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 0.1326529297895758 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923191 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662335 (1.96646e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624067 (2.8848e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.01662921905517578 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366874199 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471843932 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.128304306929748 (1.97841% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1276263878962662 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440298945 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778548772 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865517367 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300325395 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400094 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736754 (0.000295635% change) linmin: converged after 13 iterations. iteration 12: trace = 0.1274085198427984 (0.000383357% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1274080628429791 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683117 (6.55961e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 0.1274079726496398 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698067216 (2.23135e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.1274079642222976 (4.3831e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624506347 (1.39054e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1274079623179862 (1.04113e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 0.1274079622924786 (2.00204e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440727 (3.79928e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155672 (2.23734e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 0.1274079622132353 (1.83032e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.1274079622129696 (2.08546e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.1274079622125829 (3.03528e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 0.1274079622122151 (2.8867e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.07705163955688477 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698985854 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382419 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343659 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 15 iterations. iteration 5: trace = 0.1169623892439103 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324882 (6.70183e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1169623869302093 (1.94843e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.01397705078125 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773472 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363015 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025648 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1074794489927401 (6.41204e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69638e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.030263662338256836 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501608 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 21 iterations. iteration 6: trace = 0.1013401281491232 (3.84342e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478892 (1.21771e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.021480798721313477 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312491 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066022 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 27 iterations. iteration 6: trace = 0.09924540235031715 (2.21716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.0992454023496615 (6.60627e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.017421245574951172 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355368 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1023441118540878 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170787 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108164 (6.11888e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1023441112106436 (1.68821e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.0213620662689209 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369592 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294547 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817409 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 11 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048891 (2.115e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1111004875044872 (3.61795e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.016979455947875977 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803057007 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1236552585512283 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722953 (6.38331e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02924e-09% change) linmin: converged after 9 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.021393537521362305 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694175 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 6 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00461e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.030024051666259766 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943139 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.03829383850097656 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281962 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038859 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 6 iterations. iteration 10: trace = 0.1366070298222958 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853873101 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 7 iterations. iteration 14: trace = 0.1366069809219635 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728979 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469442 (1.25345e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1366069801444114 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394009 (3.6678e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 0.1366069801387251 (4.94739e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.049378395080566406 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719535 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1283044775566784 (5.08924e-09% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1283044775564042 (2.13687e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.02196049690246582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990562 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028864 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1250652868137379 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511762 (1.29981e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1250652866473551 (3.05531e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.47605e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.03417515754699707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754178 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499608 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1287431529997959 (6.38636e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1287431505713914 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20537e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623983 (2.60558e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.042043447494506836 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581132343 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957028213662 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029226 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523264 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658705 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655156 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152222 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452646071 (8.75921e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 0.1326529452610045 (2.71582e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1326529452608697 (1.01562e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003449678421020508 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% total elapsed time for run: 0.47006726264953613 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.012998104095458984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200143 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744975 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641905 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576726 (0.38369% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779293 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176778 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263998 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543164 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108616 (0.000106502% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456514 (5.07054e-07% change) linmin: converged after 15 iterations. iteration 14: trace = 0.2982519560571799 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551981037 (2.88037e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 0.2982519551550086 (1.44492e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2982519551524458 (8.59287e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507772 (5.59445e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.42991e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.013499259948730469 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315366553 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538802 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501458 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730388 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771749 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270245 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509242 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747801 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192883 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.279591138056747 (4.158e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2795911379221785 (4.81304e-08% change) linmin: converged after 27 iterations. iteration 13: trace = 0.2795911378697254 (1.87606e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2795911378501708 (6.99401e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480385 (7.62667e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.048877716064453125 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041991294 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441809 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243493 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419114 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623715 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520096 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.02389693260192871 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963264 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373555 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 17 iterations. iteration 7: trace = 0.2490993774413398 (1.21067e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2490993774400472 (5.18911e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.026057720184326172 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513505 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.2424457144901444 (2.56241e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.01749420166015625 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2406037838644215 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598912 (0.104331% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2403446058300958 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818099 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382664 (7.08361e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2403442724330158 (2.1846e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.029706478118896484 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 9 iterations. iteration 4: trace = 0.2478135705407395 (1.23644e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2478135698495617 (2.7891e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.247813569828165 (8.63421e-09% change) linmin: converged after 14 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.017368793487548828 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126344 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456907 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479118 (4.25971e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 16 iterations. iteration 6: trace = 0.2687921840087602 (2.18972e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.2687921840070877 (6.22226e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.013345718383789062 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313887 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488109 (0.147789% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2984110530872358 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909142 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.298410661911048 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038381 (2.4161e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.02955770492553711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914513 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363587 (2.90471e-07% change) linmin: converged after 20 iterations. iteration 7: trace = 0.3267691033112133 (7.69517e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102657 (2.89983e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.022135019302368164 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631013 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905772 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700711 (2.8569e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.3391341089176967 (5.75694e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3391341088659968 (1.52447e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3391341088634661 (7.46223e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.018520355224609375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035443904 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.32885221764261 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791458 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799807 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393172 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095883 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.321524056913301 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989128 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578126 (0.00040655% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3215197879153993 (3.14576e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679537 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.321519783062564 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.321519782785553 (8.61567e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696911 (4.93344e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 0.3215197827690932 (1.85947e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.04778790473937988 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423134 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397642 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380559 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741388 (1.5488e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2901214013724249 (5.90755e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.005898237228393555 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778228 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369421 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.270862840327649 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378602 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884342 (2.29821e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2708607258906749 (2.75237e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2708607258855507 (1.89183e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2708607258851874 (1.34136e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.030748844146728516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122133 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629711 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465168 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.275094367781892 (1.68897e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 0.275094367703044 (2.86622e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2750943676888276 (5.16783e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881246 (2.55546e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.02340555191040039 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3063507184996812 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186664 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147804 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994932 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127600081 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041398 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344616 (0.000546439% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533238 (2.37655e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2982519569354715 (1.04538e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 0.2982519563685401 (1.90085e-07% change) linmin: converged after 16 iterations. iteration 12: trace = 0.2982519553645638 (3.3662e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 0.2982519551600099 (6.85843e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.2982519551499672 (3.36716e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494953 (1.58241e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.015776395797729492 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% total elapsed time for run: 0.3980674743652344 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009195804595947266 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.8865138653874612 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978387 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122449 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486451 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560046 (0.00556691% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3025960087856283 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074368 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421134 (5.91063e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 0.3025956959407101 (4.63743e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.00795292854309082 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.304694850544768 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975252 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602785 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.30092972116028 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658467 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077819 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020471 (1.90569e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.02679157257080078 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931762 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861197 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505132 (0.0709335% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822387 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.296959836184407 (7.47356e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819389 (8.31116e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.02663278579711914 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784341 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095635 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733512 (0.033302% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2926449733559747 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193562999 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.292644917689337 (5.6962e-07% change) linmin: converged after 35 iterations. iteration 7: trace = 0.2926449175856842 (3.54193e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2926449175810242 (1.59239e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807107 (1.07136e-10% change) linmin: converged after 17 iterations. iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.01861119270324707 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109321 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297268 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258291 (1.3494e-07% change) linmin: converged after 19 iterations. iteration 7: trace = 0.2895143959126527 (4.55123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2895143959121476 (1.74463e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.022152185440063477 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650514 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942879 (0.00280505% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2883886834700361 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569957 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783875 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738498 (1.57349e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.0208282470703125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003746 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943675 (2.44637e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.013477563858032227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016526 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836116 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168627 (0.00195487% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3264979266586152 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973254 (1.12138e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3264979228246051 (5.29009e-08% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3264979228224313 (6.65798e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.02953648567199707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296903 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003574 (0.00608219% change) linmin: converged after 9 iterations. iteration 4: trace = 0.369066437746191 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900577 (5.353e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3690664173327335 (1.78105e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183388 (3.9003e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.021349668502807617 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601254 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169446 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073974 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643572 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759097 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425277 (3.20981e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4155447999216207 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210303 (1.42083e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.028283119201660156 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353659 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000977 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628918 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781182 (2.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.4398182199097659 (2.14613e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058903 (8.81187e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.026827573776245117 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104555 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898801 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536491 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492543 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480553 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470213 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070205 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882399 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.40247550442241 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634778 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798522 (9.64935e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.4024754384625262 (5.39973e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481776 (3.56508e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 0.4024754384464003 (4.41592e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452956 (2.74483e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447274 (1.41166e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.042784929275512695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271267 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916972 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265371 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042099 (1.6875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143103 (4.45008e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3476919187046027 (2.792e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.009911775588989258 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.313674462678804 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681952 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943586 (0.000937848% change) linmin: converged after 11 iterations. iteration 5: trace = 0.3124701893749383 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944269 (1.04986e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3124701859365773 (5.05167e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3124701859237748 (4.09718e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233402 (1.39084e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.02693486213684082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174502 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553426 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741597 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917271 (0.00276941% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3014386435309352 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615977 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123752 (8.26777e-08% change) linmin: converged after 8 iterations. iteration 8: trace = 0.3014386377980788 (4.74274e-09% change) linmin: converged after 10 iterations. iteration 9: trace = 0.3014386377957531 (7.71532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.026707887649536133 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540669 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438354 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.302596172251638 (0.000727346% change) linmin: converged after 5 iterations. iteration 6: trace = 0.302595719263861 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 29 iterations. iteration 9: trace = 0.3025956959692822 (4.98833e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.30259569594187 (9.05901e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407161 (3.81337e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.0032982826232910156 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% total elapsed time for run: 0.36654162406921387 done /tmp/meep4PaIBY/test_maximize_first_tm_gap-0: 1.71s /tmp/meep4PaIBY/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001331329345703125 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.7113034725189209 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.8486120700836182 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.43976783752441406 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.40406346321105957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.48198843002319336 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 1.0047688484191895 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.543872594833374 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.40827155113220215 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.4446852207183838 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4125521183013916 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4125063419342041 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.34341859817504883 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3899567127227783 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.39106297492980957 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.49188756942749023 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.152482032775879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 9.883814811706543 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001428365707397461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.670602560043335 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.8125669956207275 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.39152026176452637 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.3688066005706787 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.47373366355895996 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.9208931922912598 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.6043338775634766 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6380658149719238 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.7035572528839111 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5878005027770996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.6167619228363037 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.42691493034362793 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5249018669128418 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.7319669723510742 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.8163082599639893 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.62325119972229 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 11.914670467376709 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meep4PaIBY/test_multiply_bloch_in_mpb_data-0: 22.04s /tmp/meep4PaIBY/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013320446014404297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9659566879272461 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.9471545219421387 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.14345049858093262 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.23068666458129883 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2320845127105713 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.8404791355133057 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7047278881072998 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6233675479888916 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5812976360321045 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5770127773284912 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.660405158996582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.46171021461486816 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5021405220031738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6855049133300781 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.8215386867523193 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.7519187927246094 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 11.731992244720459 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meep4PaIBY/test_multiply_bloch_phase-0: 11.73s /tmp/meep4PaIBY/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013659000396728516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9455246925354004 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.5355522632598877 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.615060567855835 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.5435104370117188 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6573038101196289 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7406842708587646 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7286200523376465 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.5909996032714844 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.5742268562316895 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4135725498199463 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.49616527557373047 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.44376277923583984 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5106470584869385 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6398961544036865 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7758994102478027 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.8408410549163818 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 13.066020011901855 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meep4PaIBY/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meep4PaIBY/test_output_charge_density-0: 13.17s /tmp/meep4PaIBY/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013434886932373047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.1064848899841309 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049365 Outputting fields to /tmp/meep4PaIBY/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480439, 0.5288079654922656 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798064814 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930179532 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258794, 0.40125199105710213 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.092820931747629, 0.2872056682632663 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.8206210136413574 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.551137686974427, 0.8445541870140358 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586388, 0.4427396122607623 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144919, 0.5367491123449687 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409541, 0.3120181983347261 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.38913339289709303 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968402, 0.27762088392887485 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633553, 0.6676492387496954 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5791523456573486 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776009, 0.7942737936904464 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676534, 0.3007717411390054 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553604, 0.5586605740266591 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076878, 0.5941655354344233 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364997, 0.35472339075154585 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445865289832 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343298, 0.623265498628933 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.516282320022583 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148910987 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253041571 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811592, 0.5880663066200458 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828621, 0.7295588531345849 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425295, 0.30554099772434606 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879103, 0.24673894341648742 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656101, 0.5396650770126294 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5531723499298096 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.490738447617832, 0.4356739544080347 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809139, 0.4481425123507 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426072, 0.6139011766780409 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942633, 0.7699338908264387 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.024429460878491, 0.2578911955076916 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285343, 0.3322131408251663 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.432931740401934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.9673054218292236 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.0860399668649528 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225444, 0.3584484766510359 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450051, 0.5328472337342331 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481019, 0.6242704622253022 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825275, 0.7771267587548937 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650207, 0.2368121142822689 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.086072932359417, 0.5782428834882117 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635052696, 0.3795081622229656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7981641292572021 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.44578070370980216, 0.37490215610134964 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378553, 0.508227094763859 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820258, 0.6251503072194667 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386815, 0.7355775624966431 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182584, 0.18697860289998966 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.0501755817174658, 0.4077764093960339 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294325, 0.6404816835444186 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6175527572631836 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.4574339768574993, 0.42543224668170315 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475767, 0.43806479968572104 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094462, 0.6230094255563579 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422064, 0.5373015422282856 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792419, 0.35266364984631754 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255505, 0.42073899377174034 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.108792554315, 0.7279717672398118 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.4816710948944092 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465528, 0.07946478028058174 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468698, 0.3288116237040682 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238181, 0.22327322644032324 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502156, 0.6095695047986233 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663714, 0.6540286383381512 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130652, 0.46189058607300787 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214078, 0.7615498171458284 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4728240966796875 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598191, 0.0903499596303509 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207225, 0.1959780618291914 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137285, 0.08289042691568235 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258347, 0.5777971969564293 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777039, 0.7772986149184443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709648, 0.5159863025112328 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363994, 0.7756611032715237 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.4963812828063965 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353924 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160886, 0.11965861786804133 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.11954218308176906 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757021, 0.026633379719866956 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604552, 0.2997497622839382 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666069, 0.8023568424744697 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421863, 0.8023816357258053 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556913, 0.7797381408707402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3397371768951416 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335807, 0.3658958857129391 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356549, 0.12560615204419626 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544330911 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317908, 0.573850559806543 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893133, 0.7904020720470327 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990083, 0.4818498954987373 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958836, 0.77061008284024 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.40987563133239746 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392886, 0.6769327340989899 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500912893 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677099, 0.5562411649880867 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.825804393421293, 0.2464350024546788 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160464, 0.7471141728536403 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.38074698867754087 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.107251471986555, 0.7236183032339155 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6169788837432861 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208418, 0.776089779273674 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314974, 0.22096216698502874 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516234, 0.5549181091414706 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636717, 0.6405660798559313 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405546, 0.3162262953638465 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.078841340829401, 0.46522856191784423 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796717, 0.5462861490109712 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7466213703155518 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904045, 0.8350614780733144 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.3870295603731526 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874288, 0.5369475337156477 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928069, 0.3906213130756244 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351223, 0.36404230320257 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.041906497274037, 0.3229108453858703 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.648922709694379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.5721526145935059 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230596 Outputting fields to /tmp/meep4PaIBY/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685695205 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416430166 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882835, 0.4012466293260191 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225706, 0.4012520176859986 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478468, 0.2872053790863704 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 13.41349458694458 done /tmp/meep4PaIBY/test_output_dpwr_in_objects-0: 13.43s /tmp/meep4PaIBY/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013380050659179688 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 1.0479800701141357 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.48455238342285156 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.2900538444519043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.35453367233276367 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.30612850189208984 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.35391783714294434 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.2746257781982422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.28737616539001465 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.3193325996398926 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.35767269134521484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.45780444145202637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.4688718318939209 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.31891798973083496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.31081199645996094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.32564783096313477 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 1.0230517387390137 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 6.983884334564209 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 FOutputting fields to /tmp/meep4PaIBY/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meep4PaIBY/test_output_efield_z-0: 7.02s /tmp/meep4PaIBY/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013420581817626953 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9266619682312012 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.7875406742095947 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.6494219303131104 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.37676429748535156 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.3978602886199951 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7671914100646973 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7338137626647949 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.7396314144134521 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.6623508930206299 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5259981155395508 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.3668365478515625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3330817222595215 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5604715347290039 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.710817813873291 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.5838117599487305 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.2165772914886475 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 12.341402292251587 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meep4PaIBY/test_output_field_to_file-0-epsilon.h5... /tmp/meep4PaIBY/test_output_field_to_file-0: 12.47s /tmp/meep4PaIBY/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013489723205566406 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5449380874633789 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.658599853515625 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.470613956451416 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.44394969940185547 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.6415140628814697 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.9252703189849854 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.7410311698913574 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6168553829193115 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.6417696475982666 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.5579414367675781 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.577704668045044 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.44060564041137695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.5231814384460449 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.6746556758880615 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.8449935913085938 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 1.8034236431121826 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 12.109662532806396 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meep4PaIBY/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meep4PaIBY/test_output_tot_pwr-0: 12.16s /tmp/meep4PaIBY/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.19409537315368652 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559163 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987907 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.275770780541823 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632808 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.252521666448504 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133906 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.250524545611766 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292798 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617258 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333106 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329613 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323358 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388505 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 5 iterations. iteration 16: trace = 0.2503325842641612 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648277745 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592917609 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020836445 (0.00241997% change) linmin: converged after 4 iterations. iteration 20: trace = 0.2502965572166423 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.250295870716234 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722041 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253114 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855845 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624709 (2.48951e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776108 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556004 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302424 (9.00368e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423098 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746217 (7.0624e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582698 (1.92427e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 0.2502955074678371 (7.15328e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409597 (1.30597e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 0.2502955070820969 (2.35173e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452446 (1.47235e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.2502955070312232 (5.60196e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 0.2502955070289656 (9.01967e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287197 (9.82274e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077242282496 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244637206618 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461774916993 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441115556886 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912957140796 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.554977005635624 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797509715 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756235467 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785497575 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847066949 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402697568 (0.0131694% change) linmin: converged after 4 iterations. iteration 12: trace = 0.5523162607162734 (0.0041786% change) linmin: converged after 5 iterations. iteration 13: trace = 0.5523079347092207 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770734 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348502885 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040401 (2.55197e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.5523044363704386 (1.0417e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.5523044197503095 (3.00923e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 0.5523044169604693 (5.05127e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.5523044161634481 (1.44308e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163604 (6.28435e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915484 (2.25984e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 0.5523044156387963 (9.55128e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 0.5523044156091683 (5.36443e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156002892 (1.60765e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970435 (5.87672e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956081 (2.59894e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.552304415595374 (4.23743e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666553138821 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938401247 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414368856 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080001039 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437466541 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989232303 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982376 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.37268195131882 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061495 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318599 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231612 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627804103043 (0.0174174% change) linmin: converged after 4 iterations. iteration 13: trace = 1.369391088200206 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936423073 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718526 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.36896709991595 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763117032 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102084 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217092 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.368816057044509 (0.00227137% change) linmin: converged after 7 iterations. iteration 21: trace = 1.368795335803253 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116283498 (0.000892725% change) linmin: converged after 4 iterations. iteration 23: trace = 1.368774313878865 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.36876702717065 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736433417 (0.000459593% change) linmin: converged after 8 iterations. iteration 26: trace = 1.368755530414703 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509855 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700078314 (0.000176762% change) linmin: converged after 13 iterations. iteration 29: trace = 1.368747854834259 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521253 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675057 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365467 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106172826 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.36874397809044 (9.35766e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 1.368743922574262 (4.05599e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 1.368743896765322 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092236 (9.25892e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.368743877674393 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564827 (3.00244e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515095 (2.22812e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 1.368743865625254 (3.5725e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077474 (6.97558e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 1.368743837481702 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106323 (2.43839e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762212519 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718468747 (3.19591e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.368743667116035 (3.75181e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.368743567909835 (7.24798e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.368743413508752 (1.12805e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382022 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909640436 (1.90497e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678084064 (1.69174e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.368742429352863 (1.81722e-05% change) linmin: converged after 11 iterations. iteration 54: trace = 1.368741979799262 (3.28443e-05% change) large trace change predicted (7.74578e-05%) linmin: converged after 5 iterations. iteration 55: trace = 1.368740938896419 (7.60482e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.368739090064356 (0.000135075% change) linmin: converged after 8 iterations. iteration 57: trace = 1.368737088985244 (0.000146199% change) linmin: converged after 5 iterations. iteration 58: trace = 1.368735675184446 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.36873489139564 (5.72637e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383052895 (3.71396e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.368733869799367 (3.74984e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.368733229784598 (4.67596e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612888608 (4.50706e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103624983 (3.7207e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.36873178435718 (2.33258e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593555578 (1.394e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.368731481643516 (8.17633e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406757154 (5.47122e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346620766 (4.39359e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326396683 (1.47758e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305812751 (1.50387e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292685496 (9.59082e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.368731274190961 (1.35122e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.36873124683439 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222076538 (1.80882e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.368731209365183 (9.28696e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204980154 (3.20372e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 1.368731202164322 (2.05726e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199544978 (1.9137e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862976 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121577 (1.27227e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394966 (5.30864e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038443 (2.60477e-08% change) linmin: converged after 3 iterations. iteration 84: trace = 1.368731193798584 (1.75242e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444766 (2.58501e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939273 (3.69315e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445322 (3.60883e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 1.368731191973515 (3.44704e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.3687311914594 (3.75614e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.368731190769489 (5.04052e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492628 (9.32879e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985266 (1.10128e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 1.368731186086125 (1.38752e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.36873118302204 (2.23863e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 1.368731177617109 (3.94886e-07% change) large trace change predicted (9.62764e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164440175 (9.62712e-07% change) large trace change predicted (1.97299e-06%) linmin: converged after 4 iterations. iteration 97: trace = 1.36873113743805 (1.97279e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113438422 (1.75342e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088527767 (1.81998e-06% change) linmin: converged after 6 iterations. iteration 100: trace = 1.368731069143642 (1.41621e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058828905 (7.53599e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 1.368731053231001 (4.08985e-07% change) linmin: converged after 14 iterations. iteration 103: trace = 1.368731050633044 (1.89808e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719111 (6.67723e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381032 (2.47002e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 1.368731049212438 (1.23175e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049112461 (7.30433e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 1.368731049041643 (5.17401e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048989907 (3.77985e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048949556 (2.94805e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048927728 (1.59475e-09% change) linmin: converged after 7 iterations. iteration 112: trace = 1.368731048915437 (8.98038e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048898766 (1.21795e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 1.368731048867242 (2.3032e-09% change) large trace change predicted (6.63169e-09%) linmin: converged after 4 iterations. iteration 115: trace = 1.368731048776475 (6.63145e-09% change) large trace change predicted (2.53819e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429068 (2.53817e-08% change) large trace change predicted (6.62506e-08%) linmin: converged after 7 iterations. iteration 117: trace = 1.368731047522245 (6.62528e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910584 (1.17749e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044212744 (1.24045e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043116591 (8.00853e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 1.368731041987232 (8.25114e-08% change) large trace change predicted (1.95931e-07%) linmin: converged after 7 iterations. iteration 122: trace = 1.368731039305491 (1.95929e-07% change) large trace change predicted (5.72233e-07%) linmin: converged after 5 iterations. iteration 123: trace = 1.368731031475412 (5.72069e-07% change) large trace change predicted (1.3697e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012741541 (1.3687e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990264535 (1.64218e-06% change) linmin: converged after 8 iterations. iteration 126: trace = 1.368730976167249 (1.02995e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969434909 (4.91867e-07% change) linmin: converged after 5 iterations. iteration 128: trace = 1.368730962738434 (4.89247e-07% change) large trace change predicted (1.0363e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948542338 (1.03717e-06% change) large trace change predicted (2.09757e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919747172 (2.10379e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881719372 (2.77833e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850739533 (2.2634e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836018361 (1.07553e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 1.368730830348684 (4.14229e-07% change) linmin: converged after 3 iterations. iteration 135: trace = 1.36873082685028 (2.55595e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824073477 (2.02874e-07% change) linmin: converged after 5 iterations. iteration 137: trace = 1.368730822419339 (1.20852e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821974349 (3.25111e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821797337 (1.29325e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 1.36873082173381 (4.64129e-09% change) linmin: converged after 2 iterations. iteration 141: trace = 1.368730821659028 (5.46361e-09% change) linmin: converged after 12 iterations. iteration 142: trace = 1.368730821514677 (1.05463e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.36873082127949 (1.71829e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730821006482 (1.9946e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820791103 (1.57356e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820664076 (9.28066e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820561719 (7.47823e-09% change) linmin: converged after 2 iterations. iteration 148: trace = 1.368730820423973 (1.00638e-08% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820282637 (1.0326e-08% change) linmin: converged after 6 iterations. iteration 150: trace = 1.368730820163353 (8.71496e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730820033991 (9.45121e-09% change) large trace change predicted (1.90732e-08%) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819772934 (1.90729e-08% change) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819301536 (3.44406e-08% change) linmin: converged after 4 iterations. iteration 154: trace = 1.368730818650667 (4.75527e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730817733782 (6.6988e-08% change) linmin: converged after 8 iterations. iteration 156: trace = 1.368730816601199 (8.27469e-08% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730814812392 (1.30691e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811403355 (2.49066e-07% change) linmin: converged after 7 iterations. iteration 159: trace = 1.368730806806086 (3.35878e-07% change) linmin: converged after 8 iterations. iteration 160: trace = 1.368730803017133 (2.76822e-07% change) linmin: converged after 3 iterations. iteration 161: trace = 1.368730799847216 (2.31595e-07% change) linmin: converged after 11 iterations. iteration 162: trace = 1.368730796328044 (2.57112e-07% change) linmin: converged after 8 iterations. iteration 163: trace = 1.368730793064505 (2.38435e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.368730790362386 (1.97418e-07% change) linmin: converged after 3 iterations. iteration 165: trace = 1.36873078878541 (1.15214e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787826099 (7.00877e-08% change) linmin: converged after 7 iterations. iteration 167: trace = 1.368730787041913 (5.7293e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786327404 (5.22023e-08% change) linmin: converged after 10 iterations. iteration 169: trace = 1.368730785825024 (3.6704e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785560769 (1.93066e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785470285 (6.6108e-09% change) linmin: converged after 5 iterations. iteration 172: trace = 1.368730785440339 (2.18785e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430635 (7.08963e-10% change) linmin: converged after 3 iterations. iteration 174: trace = 1.368730785427708 (2.13912e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426833 (6.38849e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106530170506 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364100690525 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772433885725 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181950333428 (5.14594% change) linmin: converged after 12 iterations. iteration 5: trace = 2.205266188017869 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248748637495 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760375776314 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774122084664 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.16358040199555 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739056009329 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209476702 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362898862326 (0.0769503% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174696420811 (0.0551429% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097711184035 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356411443999 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804495845252 (0.0256457% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338212081666 (0.0216718% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061653838748 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823283589471 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546131968 (0.00775256% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247757261 (0.00508222% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111512736 (0.00312187% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447077012171 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426791487532 (0.000943321% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415527122207 (0.000523821% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409797922104 (0.000266423% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405288663566 (0.000209693% change) linmin: converged after 4 iterations. iteration 28: trace = 2.15040214025945 (0.00014641% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399521550649 (0.000121778% change) linmin: converged after 6 iterations. iteration 30: trace = 2.150396649501039 (0.000133559% change) linmin: converged after 6 iterations. iteration 31: trace = 2.150393098810755 (0.000165118% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387654321853 (0.000253186% change) linmin: converged after 7 iterations. iteration 33: trace = 2.150380790837795 (0.000319175% change) linmin: converged after 5 iterations. iteration 34: trace = 2.150373779095473 (0.00032607% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366763997729 (0.000326227% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359396527598 (0.000342615% change) linmin: converged after 4 iterations. iteration 37: trace = 2.150351903227359 (0.000348468% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144221984 (0.00040733% change) linmin: converged after 4 iterations. iteration 39: trace = 2.150335244258529 (0.000367382% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828056092 (0.000298382% change) linmin: converged after 6 iterations. iteration 41: trace = 2.150323123346729 (0.000265295% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840811106 (0.000152653% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369675977 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485730016 (8.76125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485092851 (4.65344e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850319529 (2.952e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567745016 (1.31411e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387604 (7.68992e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592575 (5.19901e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233309788 (2.66393e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 2.150313205104017 (1.31171e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 2.150313191063011 (6.52975e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.15031318315574 (3.67726e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178005872 (2.39494e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 2.15031317468392 (1.54487e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.15031317298649 (7.89387e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171839945 (5.33199e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 2.150313171038808 (3.72568e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618584 (1.95424e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310127 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.15031317007892 (1.07523e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169876843 (9.39756e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 2.150313169681186 (9.09903e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 2.15031316952697 (7.17178e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349206 (8.26689e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 2.150313169164314 (8.59838e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971394 (8.97169e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 2.150313168726532 (1.13873e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 2.150313168487834 (1.11006e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.150313168383634 (4.84582e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168199778 (8.5502e-09% change) linmin: converged after 5 iterations. iteration 72: trace = 2.150313168067435 (6.15461e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167954971 (5.23009e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167848819 (4.9366e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167774826 (3.44105e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167690865 (3.90457e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167606671 (3.91543e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537179 (3.23173e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167461771 (3.50684e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 2.150313167391707 (3.25831e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167302679 (4.14023e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174394 (5.96587e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167057197 (5.45023e-09% change) linmin: converged after 2 iterations. iteration 84: trace = 2.150313166919648 (6.39672e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166760828 (7.38586e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166660208 (4.67932e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 2.150313166582061 (3.63425e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651592 (3.07587e-09% change) linmin: converged after 5 iterations. iteration 89: trace = 2.150313166475563 (1.87678e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.150313166453092 (1.04503e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166442374 (4.98443e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166436357 (2.79818e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432015 (2.01938e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166429914 (9.76854e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.54561533283516 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039207398 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543054489073 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623148721098 (5.09114% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777747030367 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.48697195409586 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814609174601 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529975618113 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010579592671 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192498564 (0.206519% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000266960076 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801969572049 (0.090024% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651933403517 (0.0471282% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794406518084 (0.0351557% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022839070599 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.43731423966883 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427459297366 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606085478923 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080538992132 (0.02158% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730917248482 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515499878323 (0.00884808% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390164757964 (0.00514839% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289948271563 (0.00411678% change) linmin: converged after 4 iterations. iteration 24: trace = 2.43421517112559 (0.00307187% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151151333727 (0.00263003% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099390081217 (0.00212648% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521772944 (0.00122709% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894882334 (0.000724176% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921125313 (0.000450844% change) linmin: converged after 5 iterations. iteration 30: trace = 2.434034872446438 (0.000248504% change) linmin: converged after 6 iterations. iteration 31: trace = 2.4340311347368 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967791745 (8.9027e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725438828 (5.1041e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886621372 (3.44621e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138719075 (3.0727e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450962204 (2.82559e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951067755 (2.05378e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674081352 (1.13798e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 2.434024546245138 (5.25205e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.43402447271568 (3.0209e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.43402442264887 (2.05696e-06% change) linmin: converged after 16 iterations. iteration 42: trace = 2.434024388303356 (1.41106e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248842 (1.02935e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054834 (7.47487e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334364265 (4.39214e-07% change) linmin: converged after 6 iterations. iteration 46: trace = 2.434024326949267 (3.04639e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899892 (2.48534e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216973 (1.5131e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167457 (8.42028e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139083 (4.225e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590412 (2.25417e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235237 (1.45921e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972156 (1.08085e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312720115 (1.03549e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512642 (8.52389e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381686 (5.38021e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 2.434024312305557 (3.1277e-09% change) linmin: converged after 5 iterations. iteration 58: trace = 2.43402431226277 (1.75786e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237418 (1.04159e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222994 (5.926e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214691 (3.4111e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 2.434024312208376 (2.59427e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 2.434024312203916 (1.83253e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200633 (1.34886e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312198264 (9.73374e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 176.69323348999023 total elapsed time for run: 176.8878390789032 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 Outputting fields to /tmp/meep4PaIBY/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.022690534591674805 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 3.8166000843048096 total elapsed time for run: 3.839407205581665 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01836085319519043 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 4.044016122817993 total elapsed time for run: 4.062457323074341 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03456926345825195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111975 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223207 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769830925 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084968943 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362042705 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099014652 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181321038 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250416949 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950458103788 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259878067776 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457343976 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656617101 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390827254 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189687394 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928803855 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120440128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386241062 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985888954 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.00681525517829826 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864077147 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463155562 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365667045719 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414037494 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.00577045887794577 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846854336 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766158294 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855524939 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369241024 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.0047750227468392 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747066135 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249534733 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268193689 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235730644 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278660491 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935361575 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.00427652681574679 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311810986 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878610267 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839058333 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172378827 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230778637 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631595188 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509315449 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759075903 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770881508 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030283002335 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192100772 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141799081 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305240271 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782136195 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930972855 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163544016 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800834 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304604568 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076673498 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750455045 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791946304 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118899126 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826965426 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405475136 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088435873 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0031633288891235 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524626722 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020054819 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288074134 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611720689 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980387658 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183462938 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645554072147 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913830766 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.00292930566739102 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581963598 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966748026 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927257924 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245967761 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663958115 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.00263395315502916 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905708 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908529128 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951166054 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623661904 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326038623 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650581014 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083978984 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518374927 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691417378 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579481 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250763979 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998810526 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603135 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225727589 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010863174 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897761381 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003712123 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872111521 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456922245 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465642957 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.00232926143884425 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946603649 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091235998 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845139965056 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132802064 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759977945 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103806193 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786152922282 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927080804095 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299123318 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753068920313 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461126356 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.00203162291519282 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314296047 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692206722 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220819478 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715558564 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654760598 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076236913126 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712280395883 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375463955263 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295701355 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912146249 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779161867 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562050229 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449814275 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137458801 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212231809554 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093758295 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923188187034 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513871651646 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211517864 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854526385 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517131958 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026901769776 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623647581 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761470105556 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786061251 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047116603 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235934785314 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787552322 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978755483 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066132478 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503892364 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519148888 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963199116 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129060389 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730664685 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790903732 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061937365 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044742081 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554124385083 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681918807 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193835764 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946428974 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519722 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452711556 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864461 (0.000750033% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735686 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873165 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886346 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309849778 (0.000465479% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965313019 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401178 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761270238 (8.66305e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816844 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150627 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519393 (5.71723e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.0017951179643805 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608932586 (7.55075e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836147 (1.8415e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637384 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633503659 (1.92263e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048387 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024776292 (9.51626e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.00179510771385997 (1.73202e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576205 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189144143 (1.59563e-05% change) large trace change predicted (4.80671e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617456 (4.80734e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167742 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.00179510525712836 (2.4533e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147833 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910061 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578124 (8.54168e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903729 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259423 (2.87695e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068015 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523467903 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 4.248342514038086 total elapsed time for run: 4.282991170883179 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.030574321746826172 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578827399 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937801 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107119679 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075719608 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094124929 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877248347 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957180424 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378831909 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235922479 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721444142 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156714772 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995861183 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684014537 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447181201 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896296876 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160565367 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706256455 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734012703 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104546883 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513789621 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950175319 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941089456 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782551548 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653530731 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773792319 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00261408919836408 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610947004 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356273773 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133012123 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00233796629705678 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256886928 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017492219 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304785408 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957222999906 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068852122 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323885004 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179774289 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763084735 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377042975 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965208401 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.00155921515695374 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482627 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335442 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473434224 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093899474 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973043123 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326801945 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853658683 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.00130499859355095 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360753415 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558345 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987313 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.00125677986338564 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870881619 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860403951 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208772778 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235977517 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359716823 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487711424 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286254316 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688685817 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118687525 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418161235 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081979881 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130402338 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902350251 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642964197 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579150081 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041034646 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944866 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706008446 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061314714 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488235073 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724642162 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831578985 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532948339 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941740013 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482039139 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956325559 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472246269 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028339726 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945317 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568589683 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029389 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446443047 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.000981654287726127 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600283054 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658643 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662757565 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342185247 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219149113 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448670227 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231881596 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907702626 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555612 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747228 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646619571 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903057995954 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114930696 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111648292 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.000973341966809752 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760046547 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974931011 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982404363 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866935 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318841234 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085182 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008878 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001020127 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572927 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550693561 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456027 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186011459 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835423 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398541233 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134557 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000972485898755359 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150201 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886667 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967831301 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982419 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509295809 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 3.4799962043762207 total elapsed time for run: 3.510650396347046 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.026456117630004883 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514247 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238583 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355311 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955128 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0100894235250991 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413965239 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371225856 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891943778 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764816385 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851753761 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00673167590201818 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014649972332 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944009995 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126196015 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286174116 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313898079 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857905518 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983459523 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288190122 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182187236 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500152332 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282953766 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173308252 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567269919 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244798919 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035554091 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953473477 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188507326 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133709125 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116207442 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949290188 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252316229 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418581334 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430392555 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459248926 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343194793 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477424317 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240514918 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679004818 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208419246 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884309858 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032326439 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031079486 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826413665 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255418251 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945740037 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163437629 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357500939 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183566773 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687867483 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936484398 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203036437 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544465145 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783901 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158645289 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309521 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898567178 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421344878 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312952852 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095241983 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745412257 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646086128 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954728243 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140719988 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221307215 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688562095 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127308791 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680211521 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907337273 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368373891 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162762452 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581289 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830387063 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305165733 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630966258 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796861826 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611198662 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524014 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394601 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246072304 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945097374 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789181844 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710495486 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812843 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239683097 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575035 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248478511 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906729 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746359608 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319219 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589958601 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856063663 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542227 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.000444726767362233 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986460133 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000444245580605219 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303023 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905866564 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500733 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983546 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655417 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975631598 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249043 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010886317 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585175 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515581526 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167122 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101567 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229819 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055766774 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132132 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000443413692435694 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871981 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803081369 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054549 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779061 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989793184 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000443393710753055 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.00044339255522473 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351567819 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465858 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293057 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 2.987898349761963 total elapsed time for run: 3.014432191848755 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.030498027801513672 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516151 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131392180270813 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205604164 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607515258 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370438056 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309124136 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971076747502 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717279949852 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313039572 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511328252523 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999188587252 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592946480029 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163783014 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00596154977038677 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245977392 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611362561 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994043991938 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898349406407 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702635394283 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708266895 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469566703 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922812975 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00304023988603604 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177461078 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324367631 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.00266516322242606 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00226371610808418 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509313738 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00214077639914179 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936511166 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147154582 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060682966421 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993347732 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904243219416 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603642031292 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00149051835858315 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863554563 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511516369738 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643607082073 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867389404 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836952946 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302834804 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275990163 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727154077 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005831717 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699098917 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372311806 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259259575 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819912349258 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932452828896 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198764360718 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762291513457 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068769205437 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620734048508 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277891347 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740521548155 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000885157723534713 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930715392432 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145990267 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080876835 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283021135275 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961554440692 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256095158784 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513831269 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375662093993 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.000810457089246552 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029618069 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000799064159193558 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272893162 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909654360605 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265668023 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069134629 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868352607 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994742902132 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045902645 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899923329 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023607333 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406189162 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875030859 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846900935 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296084835 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404445294 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071706359 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769587756 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716408983 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832243191 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335651195 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747977002 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344352046 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515793524 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024933058 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993806709 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538429843 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075412233 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437316314 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274619584 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363032925 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184928472 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996106257 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330955778 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454635251 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581194113 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514750095 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475520776 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369613913 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182106634 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329036022919 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515592812 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743526807 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838129145 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.00070542386447461 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849119 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589596326 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952448521 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001440852 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353967307 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082370517 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742081007403 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075229 (0.000715863% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218524 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997121 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.000705363382080597 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 3.741259813308716 total elapsed time for run: 3.7718355655670166 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0425562858581543 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598254 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126226 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159340448 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716647670391 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006995593 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507317543 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823225553 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987345598 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.0083259027376308 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671147812 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983821332298 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104508374 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910620674 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827181827 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859012478 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561401731 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268238755 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599121268 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372526030351258 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354850025 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914329528 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841871505 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790177374 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276287455 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528812 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819545466 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117715322 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575514644 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121669809 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521685669 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169362700270968 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013262594 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416305719 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152683730460767 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621888311 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950247379 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123163863135193 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578475442 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224133547 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930558997462 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334826591 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581847 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721356356 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846279036 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628567765 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949768703 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829837042 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079870348 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713553913 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097507311 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374209466 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319630357 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462340947 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081794688 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230015674 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308723415 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183515871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870887716 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613036115 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000673706500779278 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906839349 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489947768 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390010435 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061252257 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173751737 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036481185 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591535534 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581626358 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731986008 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007011797 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760239587 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678303802 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419083705 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970696843 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308379359 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027644159 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909415205 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268703327 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479638756 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937977833 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577198722 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303566 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805402559 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205825 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586057971 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267322373 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775120635 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641633 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842729244 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535775531 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126023019 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841265851 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909014505 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825748 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720897967 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206128 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007091 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922392897 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368095923 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459453 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544384924 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755752 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291713 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567637905 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274724705 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248268 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935523 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431469617 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366095 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691929 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739618 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618246 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704853 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819213 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747535 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113428 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543197926406157 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708296 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551495 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971830759 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783299 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996196 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961974 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543179521609897 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633948 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791236 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155191 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 2.6195340156555176 total elapsed time for run: 2.662165641784668 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.046506404876708984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459342 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081183 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141234 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00989707820952058 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416139161 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401027 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844174292 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845432881 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279340907 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864507001 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791962081 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.0058281432951154 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249140956 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950892465 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263075897 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626857838 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661217761 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00340144141458563 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500873249 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00321073386637918 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548036 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00283313570204534 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508297314 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055532764 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058585261 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440864749 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958936253 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503181491 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549767166 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473829649 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338515 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627736746 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809892523 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783738239 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415236346 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134882012 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642660845 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721644 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105179725 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562994512 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671155279 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521885585 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00101785103501322 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468269755 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968775963 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303399611 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733063531 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069756368 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495186759 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129446339 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000838952470009195 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326943089 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473223893 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921400057 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485051223 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750160264 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683073802 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000764951390190671 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368889608 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165854 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134004406 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599742778 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013486256 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691341203 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000712771360890298 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341151617 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384212544 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335799733 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284997924 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738453 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879500523 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973037774 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496980401 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708277717 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000644771042408771 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415597467 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962792 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428429 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099248 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957967 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372162 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416291778 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513806965 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773689 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528922642 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812704136 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433132 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995436522 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312008425 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788696307 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450361 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225700605 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954457557 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073483286 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428537 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144645 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433767 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429824835 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756991 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.000624013238722175 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226183 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340011864 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011359 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679887561 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541368 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857381 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000623743326660812 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971056 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706671 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607944512 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965005 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000623697778498448 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212086 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364127 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031522427 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099834 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208735 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673367 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128373 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265655 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 4.093928337097168 total elapsed time for run: 4.140507698059082 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.04262185096740723 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137825 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767729 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005632 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175339375 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426092 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337365355 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068471211492 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059079865 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487176006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033229693 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360048019 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502915275 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450994881 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924738635 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692909242 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785792776 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513395261 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356079333 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995251578 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651711028274 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465157 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731852105 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865306127 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417307022 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218255004265 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620748649 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439707574 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199991457 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595881864 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621318485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892836 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904548643 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158550252 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709879191 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514518891 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936798469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429300583 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348123899 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085925415 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601355861 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102265449 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228231255 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737035624 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996882992 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454992681 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716870005 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052056745 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684561146 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598691239 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224588651 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799169881 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850388767 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606117657019 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151057359 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922297769 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362412171 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856188177079 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205563847 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079920771 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129083885 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909217021 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270725466 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806081219 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212858577 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507492177 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800942865 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894750784 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645345516 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697130229 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209832679 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342491997321 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651696602 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484410814782 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758315432 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661273599037 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099685388 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810539749 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269262937 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161062365 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191066584 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941087918 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430645728 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829425 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247433 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627342601 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982133001 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173427 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160804 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511589897 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420895008 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694109087 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189519 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958088253 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596135 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594486787 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038593462 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466873 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676880529 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681691 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807558005 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863447266 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184856256 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355746 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056866 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665794 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752697087774 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474623 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284916223 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146313 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312725 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628223359947 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343014158 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184067 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753474 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667296 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333241007 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529871 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482468 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213766 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264684 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347931 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251679 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970986 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192813 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292129 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624831 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625732 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 3.1162266731262207 total elapsed time for run: 3.1589243412017822 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.038420915603637695 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191971 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921865 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012068 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914603802 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920008 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715102248 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559986736 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779537 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806995414 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947380951 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051135823 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647905136 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498657827 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701243487 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740668333 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930956197 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645945583 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849642655 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339118057 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666279788 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00327898744641217 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606564701 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886086 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695464114 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993169456 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541866449024 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746198257 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888825912 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598318604 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636065791 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206438526 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511992632 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569913396 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819025861 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759964756 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00131210670344504 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074245376 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00124481280291372 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511292494 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462048501 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570886648 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563319621 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673680227 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945510444 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947540669 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438150928 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664856399 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672027525 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364097478 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919907254 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200213573 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557803306 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670295825 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773215591 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256395592 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831492513 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853682708 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497627243 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507370197 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122385416 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977511783 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534000708 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539884183 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462260792 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673866012 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099789865 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107595544 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441647106 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388085 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964762438 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374263351 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470280221 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969048978 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970256257 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312618966 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216302 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759969485 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756225091 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236818 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237798021 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070023991 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000591960055657803 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538928 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208346 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666239399 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655779 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862351 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543305272246 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124815705 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877528 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425552975 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195348 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594724 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774284 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491142 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223282 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976179939 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166807432 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581598 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220021 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407432 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464084 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053717 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225447 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732186 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709429 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284357 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557202 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011359 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973579 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719851 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790069 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777851 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858312 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081683 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088896 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653333 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657492 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089031 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253623 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109859 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106206 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465602 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000583423502971132 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000583422949230357 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000583422362483298 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450269 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 3.158792495727539 total elapsed time for run: 3.1972908973693848 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.04251503944396973 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898853 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801723 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201356 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408594478 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404148784 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608208342 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00851704222118967 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739342033 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363859004 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679768137 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857760522 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909872059 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440599527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257514 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060821010163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918456057 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767679029 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430729385 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527304132 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899247688 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728392793 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266694633 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816060592 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653116322 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418499 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982666898 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583112908 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976138277 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992986375 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476476021 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286574502 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538390835 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074183369 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884040442 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316142469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805750662 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709301622 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433342012 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949626725 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450353899 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573672995 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075150004 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328902478 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772391868 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603216562 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371086195 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944570634 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810609025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420089687 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983086388 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021284734 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270861203 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294935281 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060384531 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493096498 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988841939 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288337826 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151743126 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190228429 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939804922 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000651343926804659 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794191125 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120148165 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150522155 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776209362 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834488207 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575942236 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626969904 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313363401 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731002494 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710381 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481802038172 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597029591 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393466568 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884740382 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234450237 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060494775 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878652251 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946537723 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163975608 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191541144 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985997455 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623118544 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396887906 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715173951 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960304025 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468641912 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290351699 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158369006 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310184977 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697904451 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750558736 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276532 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125152974 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772540491 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544126957 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389173067 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712543187 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539104994 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759221365 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770442 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244210137 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691171 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058016967 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585573 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838185131 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205660315 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751933429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862589 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907074114 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036227 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569438 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288949 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063251706 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971916 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222554 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683229 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997818801 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891876 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453874277 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863202293 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977934 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115397 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346718 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078849 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 3.5808346271514893 total elapsed time for run: 3.623425245285034 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.03855299949645996 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526956 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270516 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290608976 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687718 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562427 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700145501 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207278063 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00852889711208356 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057696 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571323723 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373895782 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716334527 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00589915660385347 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822099184 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041223711 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089424818 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00445313251050142 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239820115 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063073872 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624969673 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195357291 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808147482 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765278311 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464254404 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636485685 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283222 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933127763 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580402064 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449808109 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146333954 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455471433 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855855682 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402976132 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947406 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736264833 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375633954 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741029367 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516427464 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086561 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320244999 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612124706 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00107608511348011 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074889 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822365965 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370176429 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235621667 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348191729 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786292222 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528877113 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389723907 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029107708 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856303563 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497697246 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245124783 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713909217 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847884817 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148180748 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391403244 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193914895 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867071886 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634054504 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502924638 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275840157 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955433125 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625729859 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523642646 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000647471635683386 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580202934 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358049454 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771876931 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459408103 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055943 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712673886 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474227994 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000584377672190079 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887257933 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145368019 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988166324 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030355 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811564757 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656888314 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811387682 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367340476 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378534 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939911 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706819044 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625840404 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685999 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107237177 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341357651 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341625185 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203234273 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724822857 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748607 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630710792 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322843 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579115849 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384266 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170980961 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948328 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885822105 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376018 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089987 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879474 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173244 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016803 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014332474 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828253 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609721 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764394931 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202282 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607324401 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843435 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070818 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717771309 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407282 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225869 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000563449541599581 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648199 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229267067 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502092 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083529 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000563441846756934 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000563441423019242 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000563441267310489 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.000563441068065134 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000563441055533467 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.000563440908681759 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 3.431680917739868 total elapsed time for run: 3.4703104496002197 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014771699905395508 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801603 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222653 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408588507 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403842299 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607488024 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220860731 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738647074 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362624252 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678833311 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285672118 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909923032 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406404344 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169344881 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209595262 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917694077 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767029675 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431128894 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527324271 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899157785 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728547439 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266618841 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815738305 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652875282 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101490796 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827192646 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583249696 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976246106 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993232512 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347662858 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628661143 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538465078 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074588424 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884497108 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316413764 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805990462 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709568645 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433540852 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949737259 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450456544 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573828031 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753778747 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330162741 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773283304 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033259624 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373050075 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946178317 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081167986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421090972 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984263138 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022581599 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00074526092717319 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739962129565436 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106115202 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494206957 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990025276 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289314136 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152697722 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191304969 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940863893 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268837216 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794904634 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202214508 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506092607 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477707126 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835193845 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576621431 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627653167 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134314227 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730353767 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544200522 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792472999 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597313385 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393738378 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885227017 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234313865 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060820175 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878679191 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947027221 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445876 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022421 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986335131 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231642433 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397401571 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715635808 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960657026 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646911789 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290891111 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850852 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310462049 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385592 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751141933 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175192 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125284867 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024541 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544612204 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389625204 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712975067 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585556 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689452 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238702 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442553742 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165286 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492352 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057163 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653327 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079089 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075703 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752388618 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833425 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071218295 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508298 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613031127 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760568 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733042 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685875 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154743 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998302949 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454339354 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929216 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863682015 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251136 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587193 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 2.706751823425293 total elapsed time for run: 2.7216005325317383 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.030536413192749023 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732443 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101697 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892737028 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111550542 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134406265 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781964499 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111638534 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955235046 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564975862 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003152221757 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058619612 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474932032057 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151484895 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868474088 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409001793 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121726576717 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818876427 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166022229881 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625373545 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464789618 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00323296361365317 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650725999 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.0028037328238545 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00272549979575612 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00268877892825142 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217042843278 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457654706 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666235006 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262687753 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637430311 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804241009 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701845439 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012398390305 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388307187 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666361946 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00126948431086243 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740020698 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877460885485 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041191235 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827332115 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132125791 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00106342611885985 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651603088994 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947119102 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209203887 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318603988158 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680621571141 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494238419 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649172428 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279075855603 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632042897 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802281605836 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125206468 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868356672 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959237339 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382937661766 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847742736814 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460119984083 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125255783699 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693224471 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414599140188 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864220272 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242442245 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892558789 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725209967 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616197569 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354210428 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372669772 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383400986 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502094541 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950781763823 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767948023 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352906658932 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510814058584 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982001474 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191063654 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368908955536 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400448248 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462098142 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215109654 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587877296 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927448529 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500636137 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022581278 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875679437 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550806457 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311140524 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114431289 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000557236712140031 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121681097 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450830856 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414828518 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092777762 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305163842 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391509682 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625776974 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258742105 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642602463 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416426181 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880117 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641402986 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307990059 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510814802 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493451267 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264295007 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826948541 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714180234 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.000553609541971647 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766928733 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986146 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119164885 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237615334 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764597 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454523 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694815 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523242 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002452 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171051055 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247655 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579644 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000553491835655066 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 2.3881711959838867 total elapsed time for run: 2.4187841415405273 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014460086822509766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 2.612032890319824 total elapsed time for run: 2.6386208534240723 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.022479772567749023 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 2.4875431060791016 total elapsed time for run: 2.5101001262664795 done /tmp/meep4PaIBY/test_point_defect_state-0: 229.99s /tmp/meep4PaIBY/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.013424158096313477 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.49991297721862793 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.7283413410186768 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.403078556060791 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.3852047920227051 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.48250913619995117 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7058405876159668 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.46889185905456543 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.42971324920654297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.34612536430358887 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.3419632911682129 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) elapsed time for k point: 0.31691908836364746 Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meep4PaIBY/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.2284243106842041 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3409907817840576 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.46619653701782227 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.7211029529571533 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 1.515960693359375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 9.915702819824219 done /tmp/meep4PaIBY/test_poynting-0: 9.95s /tmp/meep4PaIBY/test_resolution-0 ======================== /tmp/meep4PaIBY/test_resolution-0: 0.02s /tmp/meep4PaIBY/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001336812973022461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9043629169464111 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 2.1155762672424316 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.5236060619354248 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.6082344055175781 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5207653045654297 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.9446094036102295 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.8302998542785645 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.6329731941223145 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.4995887279510498 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.4265720844268799 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.45955586433410645 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.3833446502685547 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.45076632499694824 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.7082321643829346 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.3514549732208252 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.4353015422821045 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 10.797776699066162 done /tmp/meep4PaIBY/test_run_te-0: 10.80s /tmp/meep4PaIBY/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005066633224487305 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787513 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636663 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.00000129987289 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.048400163650512695 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.021039962768554688 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.023545265197753906 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.013681411743164062 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.03785395622253418 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.01759195327758789 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707305 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.04915189743041992 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995153733 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.03315138816833496 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182238218 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149811511 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121561062 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833308 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849349 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415471 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.13325190544128418 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.04577326774597168 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.021648168563842773 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896859918 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779144371 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660614459 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541260548 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421072844 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300041396 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178156084 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055406609 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931782503 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807273116 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681867615 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555554979 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428324 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300163266 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171061168 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041005893 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909985421 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777987509 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644999708 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511009332 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376003476 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239968992 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102892502 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964760372 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825558725 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685273423 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543890069 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401393993 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257770253 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113003624 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967078593 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819979352 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671689793 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522193496 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371473728 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219513427 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066295204 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911801332 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524756013732 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598913968 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440483243 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280702389 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119551851 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.0452395701165 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793061477 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.0452362768057 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460847756 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.0452329254143 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122739539 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951419586 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778558607 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604133166 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428119343 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250492716 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071228361 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890300823 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707684125 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523351733 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337276557 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149430935 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959786615 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768314745 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.0452057498586 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379769866 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182636015 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983552916 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782488486 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579409965 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374283882 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566235606 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022981744 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326736854 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412894814 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816295 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704679 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343341 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 1.6439714431762695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.05777621269226074 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.029766082763671875 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.025777101516723633 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.028906583786010742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 2.257619619369507 done /tmp/meep4PaIBY/test_run_te_no_geometry-0: 2.26s /tmp/meep4PaIBY/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019061565399169922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807216 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479109 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715977 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546987 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.73396991772583 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619616788 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976067648564 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945429702 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233942143 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373997538543 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042095054 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359807277 (2.52216% change) linmin: converged after 6 iterations. iteration 13: trace = 7.66004402676575 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791814361 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401169824328 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.25138037927162 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.18127962592026 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994668335 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379694719 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880914156482 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.04200912493808 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.01524989339069 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025788045 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094420246651 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.96129066819734 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594751325 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594434093401 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076292032 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630125506 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743641201 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558556012 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579446426 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.921956091676289 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275915221 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049907 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696916199 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254161 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91592195252564 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377789 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.91474447112174 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233724 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487692 (0.00850887% change) linmin: converged after 8 iterations. iteration 43: trace = 6.913069239480913 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881381486 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643390853 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917653812 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830853411 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698906524 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335392645 (0.00661773% change) linmin: converged after 5 iterations. iteration 50: trace = 6.910392908113636 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294482325 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402304349431 (0.00704798% change) linmin: converged after 3 iterations. iteration 53: trace = 6.908895116671033 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191912501293 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883112386 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217406182 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772548434 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583710775 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626379937 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191340757 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190661670234 (0.0253987% change) linmin: converged after 3 iterations. iteration 62: trace = 6.897351294441989 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666823 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251740695 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335263920407 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058062829 (0.0229877% change) linmin: converged after 9 iterations. iteration 67: trace = 6.889435731369418 (0.0190901% change) linmin: converged after 7 iterations. iteration 68: trace = 6.888124775453085 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910014225027 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233747802 (0.0311187% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388107598 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095113147398 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946597465866 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316461763979 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537080938592 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914173461376 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949192698 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996382391897 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874606999429915 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.87371438074915 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576207635754 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977202633987 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858317934 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477619854848 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565169788672 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179368844953 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623639477074 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124924024436 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020411011665 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995938766675 (0.0176129% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118224149518 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128033363196 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784887522 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889140656 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775833331903 (0.00303471% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309343187 (0.00368344% change) linmin: converged after 3 iterations. iteration 97: trace = 6.855274952752101 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160805125712 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076132484433 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019016813 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094129846 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809724524 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951325869 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880320641 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645200256241 (0.000564288% change) linmin: converged after 5 iterations. iteration 106: trace = 6.854612594542651 (0.000475674% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854584016419467 (0.000416919% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271133996 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730460362 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325957323 (0.000283091% change) linmin: converged after 3 iterations. iteration 111: trace = 6.85448944087829 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899994951 (0.000241315% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195685512 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502377167 (0.000301896% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411317435466 (0.000352837% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854399035692262 (0.00017918% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110503745 (0.000115702% change) large trace change predicted (0.00026524%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905590728 (0.000265516% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352891527244 (0.00029199% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355890188 (0.000136156% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050697774 (8.03608e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854333109605347 (7.20871e-05% change) linmin: converged after 9 iterations. iteration 123: trace = 6.854329720339158 (4.94471e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963725112 (4.02171e-05% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854323815940363 (4.59241e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.85432065377065 (4.6134e-05% change) linmin: converged after 5 iterations. iteration 127: trace = 6.854318503229075 (3.1375e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.85431648171146 (2.94926e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496842183 (2.20779e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299958991 (9.75244e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678981406 (9.05966e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854312884200549 (1.15953e-05% change) linmin: converged after 14 iterations. iteration 133: trace = 6.854311865489204 (1.48623e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.8543112985851 (8.27077e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.85431082436196 (6.91861e-06% change) linmin: converged after 19 iterations. iteration 136: trace = 6.85431016755307 (9.58242e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289832013 (1.28054e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657163957 (9.23022e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307924048323 (1.06957e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.854307417903981 (7.38432e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969909167 (6.53596e-06% change) linmin: converged after 10 iterations. iteration 142: trace = 6.854306474593885 (7.22634e-06% change) linmin: converged after 5 iterations. iteration 143: trace = 6.854306058607152 (6.06898e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757073451 (4.39919e-06% change) linmin: converged after 9 iterations. iteration 145: trace = 6.854305444818706 (4.5556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890203396 (8.09149e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491534048 (5.81634e-06% change) linmin: converged after 8 iterations. iteration 148: trace = 6.854304291620394 (2.91661e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060869168 (3.36652e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700869671 (5.25217e-06% change) linmin: converged after 4 iterations. iteration 151: trace = 6.854303402069196 (4.35931e-06% change) linmin: converged after 7 iterations. iteration 152: trace = 6.854303138078888 (3.85145e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877278233 (3.80492e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.85430263973824 (3.46556e-06% change) linmin: converged after 8 iterations. iteration 155: trace = 6.854302422483039 (3.16962e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260254244 (2.36682e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.8543020229519 (3.46209e-06% change) linmin: converged after 8 iterations. iteration 158: trace = 6.854301803061127 (3.20807e-06% change) linmin: converged after 5 iterations. iteration 159: trace = 6.85430155803313 (3.57481e-06% change) linmin: converged after 4 iterations. iteration 160: trace = 6.85430140416215 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308348163 (1.39787e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245799444 (9.12547e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157825049 (1.28349e-06% change) linmin: converged after 5 iterations. iteration 164: trace = 6.854301069005924 (1.29582e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009952136 (8.61558e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969705365 (5.87175e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948076833 (3.15547e-07% change) linmin: converged after 13 iterations. iteration 168: trace = 6.854300932065348 (2.33598e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911070707 (3.06299e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 6.85430089188397 (2.79923e-07% change) linmin: converged after 10 iterations. iteration 171: trace = 6.854300881295973 (1.54472e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.85430087306035 (1.20153e-07% change) linmin: converged after 11 iterations. iteration 173: trace = 6.854300860996102 (1.7601e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852081534 (1.30058e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.85430084275424 (1.36079e-07% change) linmin: converged after 6 iterations. iteration 176: trace = 6.854300830272249 (1.82105e-07% change) linmin: converged after 5 iterations. iteration 177: trace = 6.854300822603414 (1.11884e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817983078 (6.74078e-08% change) linmin: converged after 4 iterations. iteration 179: trace = 6.854300813562575 (6.44924e-08% change) linmin: converged after 27 iterations. iteration 180: trace = 6.85430080825131 (7.74881e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801798455 (9.41431e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 6.854300795434934 (9.28398e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 6.854300791298354 (6.03501e-08% change) linmin: converged after 6 iterations. iteration 184: trace = 6.854300788124082 (4.63107e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785155017 (4.33168e-08% change) linmin: converged after 5 iterations. iteration 186: trace = 6.854300781057044 (5.97869e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778450468 (3.80283e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776974714 (2.15303e-08% change) linmin: converged after 7 iterations. iteration 189: trace = 6.854300775732911 (1.81171e-08% change) linmin: converged after 21 iterations. iteration 190: trace = 6.854300774376568 (1.97882e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192704 (1.72719e-08% change) linmin: converged after 5 iterations. iteration 192: trace = 6.854300772718631 (6.91643e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772373036 (5.04201e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771833355 (7.87361e-09% change) linmin: converged after 21 iterations. iteration 195: trace = 6.854300771437645 (5.77317e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771260495 (2.58451e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771187706 (1.06194e-09% change) linmin: converged after 12 iterations. iteration 198: trace = 6.854300771138262 (7.21357e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771070114 (9.94239e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.85430077100915 (8.89422e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986218 (3.34562e-10% change) linmin: converged after 2 iterations. iteration 202: trace = 6.854300770974715 (1.67819e-10% change) linmin: converged after 3 iterations. iteration 203: trace = 6.854300770964711 (1.45959e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 6.1547675132751465 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457446258 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247355935917 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932471041 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251122395 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746859895 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392870171838 (0.329376% change) linmin: converged after 5 iterations. iteration 7: trace = 6.931992239405091 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331484602 (0.211718% change) linmin: converged after 9 iterations. iteration 9: trace = 6.902037331758033 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451921457 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872058529172 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.88813042232098 (0.153627% change) linmin: converged after 3 iterations. iteration 13: trace = 6.885392679745547 (0.0397537% change) linmin: converged after 11 iterations. iteration 14: trace = 6.881023949808716 (0.0634694% change) large trace change predicted (0.551569%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122300444239 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570426617911 (0.0387243% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532554158202 (0.0297606% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958717757984 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261210950048 (0.0101995% change) large trace change predicted (0.0363602%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756740072389 (0.0366311% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373033576 (0.061583% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144949422955 (0.00590548% change) large trace change predicted (0.0574298%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114355778042 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314259527984 (0.0556773% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904154140413 (0.00601054% change) large trace change predicted (0.0472521%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507863331362 (0.0497902% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042501412231 (0.0214901% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386915346895 (0.00961592% change) large trace change predicted (0.0746117%) linmin: converged after 10 iterations. iteration 29: trace = 6.811801994343884 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011821202275 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751574221748 (0.0185048% change) large trace change predicted (0.0614976%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453233659726 (0.0631403% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025660305189 (0.006283% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296458043872 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346857992223 (0.0384865% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157595674935 (0.00278317% change) large trace change predicted (0.0152532%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129608070678 (0.0151183% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753758086779 (0.0202377% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626620366234 (0.00187031% change) large trace change predicted (0.0096437%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985860133845 (0.00942668% change) linmin: converged after 3 iterations. iteration 41: trace = 6.796346977919242 (0.00939993% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284310238764 (0.000922083% change) large trace change predicted (0.00629687%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586753547404 (0.00613258% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406399081847 (0.00678577% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367590543146 (0.000571101% change) large trace change predicted (0.00284231%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177122079922 (0.00280296% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940920007555 (0.00347609% change) linmin: converged after 3 iterations. iteration 48: trace = 6.794907137572094 (0.000497172% change) large trace change predicted (0.00433785%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615934362422 (0.0042857% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255735051849 (0.00530139% change) linmin: converged after 5 iterations. iteration 51: trace = 6.794217401763936 (0.000564203% change) large trace change predicted (0.00335306%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991213313937 (0.00332919% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728117339382 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694259081174 (0.000498376% change) large trace change predicted (0.00365899%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263052462 (0.00365045% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196853596192 (0.00367139% change) linmin: converged after 3 iterations. iteration 57: trace = 6.793167323895753 (0.000434696% change) large trace change predicted (0.00302394%) linmin: converged after 10 iterations. iteration 58: trace = 6.792962143072923 (0.00302045% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775384990048 (0.00274933% change) linmin: converged after 3 iterations. iteration 60: trace = 6.792756987326691 (0.000270842% change) large trace change predicted (0.00165713%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644650610223 (0.00165379% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550297390947 (0.00138906% change) linmin: converged after 4 iterations. iteration 63: trace = 6.792537664820014 (0.000185977% change) large trace change predicted (0.00160153%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429262685819 (0.00159591% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340578232512 (0.00130565% change) linmin: converged after 4 iterations. iteration 66: trace = 6.792331552017195 (0.000132888% change) large trace change predicted (0.000841299%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274567195951 (0.000838962% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237439770127 (0.000546614% change) linmin: converged after 4 iterations. iteration 69: trace = 6.79223260978665 (7.11104e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.792228297655388 (6.34862e-05% change) large trace change predicted (0.00110166%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153695267506 (0.00109836% change) linmin: converged after 6 iterations. iteration 72: trace = 6.792149581450575 (6.05672e-05% change) large trace change predicted (0.000708831%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528707402 (0.000707477% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860237837 (2.45649e-05% change) large trace change predicted (0.000618981%) linmin: converged after 4 iterations. iteration 75: trace = 6.79205787990562 (0.000618078% change) linmin: converged after 4 iterations. iteration 76: trace = 6.792056168827534 (2.51923e-05% change) large trace change predicted (0.000403212%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028766644234 (0.000403445% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026998181269 (2.60373e-05% change) large trace change predicted (0.000260644%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009274547162 (0.000260948% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845159906 (1.21164e-05% change) large trace change predicted (0.000159635%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598022605 (0.000159799% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904947478 (1.02043e-05% change) large trace change predicted (8.62325e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991045301935 (8.62728e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706155061 (4.99334e-06% change) large trace change predicted (6.48367e-05%) linmin: converged after 4 iterations. iteration 85: trace = 6.791986302260665 (6.48395e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986004162207 (4.38897e-06% change) large trace change predicted (5.18509e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982481881336 (5.18594e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.79198179276332 (1.01461e-05% change) large trace change predicted (5.89483e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977794316667 (5.88701e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820443474 (1.43386e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 6.791975615140822 (1.7746e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900423805 (2.52462e-05% change) linmin: converged after 7 iterations. iteration 93: trace = 6.791973335488525 (8.31769e-06% change) large trace change predicted (1.69316e-05%) linmin: converged after 12 iterations. iteration 94: trace = 6.791972185590867 (1.69302e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.79197155135575 (9.33801e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944542422 (8.93427e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970211866635 (1.07874e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818862496 (5.78631e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969262211649 (8.19572e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708602202 (8.15094e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.791968653064911 (8.17691e-07% change) large trace change predicted (5.37706e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968287849869 (5.37716e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.791968277463236 (1.52925e-07% change) large trace change predicted (2.60221e-06%) linmin: converged after 2 iterations. iteration 104: trace = 6.791968100721677 (2.60221e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092878765 (1.15473e-07% change) large trace change predicted (2.0587e-06%) linmin: converged after 3 iterations. iteration 106: trace = 6.791967953051572 (2.05871e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.791967948024034 (7.40218e-08% change) large trace change predicted (1.46291e-06%) linmin: converged after 8 iterations. iteration 108: trace = 6.791967848660353 (1.46296e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845150555 (5.16757e-08% change) large trace change predicted (1.32858e-06%) linmin: converged after 3 iterations. iteration 110: trace = 6.791967754913359 (1.32859e-06% change) linmin: converged after 21 iterations. iteration 111: trace = 6.791967748472299 (9.48335e-08% change) large trace change predicted (1.1718e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967668877026 (1.1719e-06% change) linmin: converged after 5 iterations. iteration 113: trace = 6.79196766554222 (4.90993e-08% change) large trace change predicted (7.81653e-07%) linmin: converged after 2 iterations. iteration 114: trace = 6.791967612450451 (7.81685e-07% change) linmin: converged after 24 iterations. iteration 115: trace = 6.791967610959208 (2.1956e-08% change) large trace change predicted (2.94444e-07%) linmin: converged after 3 iterations. iteration 116: trace = 6.791967590960216 (2.94451e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.791967587005427 (5.82274e-08% change) large trace change predicted (2.45919e-07%) linmin: converged after 30 iterations. iteration 118: trace = 6.791967570302307 (2.45925e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206063 (1.21344e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 6.791967546140414 (2.34398e-07% change) linmin: converged after 18 iterations. iteration 121: trace = 6.791967543171825 (4.37073e-08% change) large trace change predicted (2.56507e-07%) linmin: converged after 16 iterations. iteration 122: trace = 6.791967525749222 (2.56518e-07% change) linmin: converged after 8 iterations. iteration 123: trace = 6.79196752451914 (1.81108e-08% change) large trace change predicted (6.60925e-08%) linmin: converged after 15 iterations. iteration 124: trace = 6.79196752003006 (6.6094e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.791967517036195 (4.40795e-08% change) linmin: converged after 19 iterations. iteration 126: trace = 6.791967516053871 (1.4463e-08% change) large trace change predicted (4.7355e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.79196751283756 (4.73546e-08% change) linmin: converged after 6 iterations. iteration 128: trace = 6.791967512591317 (3.6255e-09% change) large trace change predicted (4.03429e-08%) linmin: converged after 26 iterations. iteration 129: trace = 6.791967509851213 (4.03433e-08% change) linmin: converged after 27 iterations. iteration 130: trace = 6.791967509713659 (2.02524e-09% change) large trace change predicted (5.30423e-08%) linmin: converged after 9 iterations. iteration 131: trace = 6.791967506110998 (5.3043e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505801535 (4.5563e-09% change) large trace change predicted (5.32642e-08%) linmin: converged after 7 iterations. iteration 133: trace = 6.791967502183798 (5.32649e-08% change) linmin: converged after 6 iterations. iteration 134: trace = 6.79196750191726 (3.92431e-09% change) large trace change predicted (2.31904e-08%) linmin: converged after 7 iterations. iteration 135: trace = 6.79196750034217 (2.31905e-08% change) linmin: converged after 6 iterations. iteration 136: trace = 6.791967500260601 (1.20097e-09% change) large trace change predicted (1.46637e-08%) linmin: converged after 3 iterations. iteration 137: trace = 6.791967499264651 (1.46636e-08% change) linmin: converged after 5 iterations. iteration 138: trace = 6.791967499226701 (5.58736e-10% change) large trace change predicted (1.25371e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498375169 (1.25373e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 6.791967498292051 (1.22378e-09% change) large trace change predicted (2.54594e-09%) linmin: converged after 6 iterations. iteration 141: trace = 6.791967498119134 (2.5459e-09% change) linmin: converged after 26 iterations. iteration 142: trace = 6.791967497955175 (2.41401e-09% change) linmin: converged after 27 iterations. iteration 143: trace = 6.791967497875718 (1.16987e-09% change) large trace change predicted (3.67353e-09%) linmin: converged after 7 iterations. iteration 144: trace = 6.791967497626207 (3.67363e-09% change) linmin: converged after 6 iterations. iteration 145: trace = 6.791967497592159 (5.0129e-10% change) large trace change predicted (6.23283e-09%) linmin: converged after 20 iterations. iteration 146: trace = 6.791967497168824 (6.23288e-09% change) linmin: converged after 4 iterations. iteration 147: trace = 6.791967497130071 (5.70571e-10% change) large trace change predicted (4.56836e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496819786 (4.56841e-09% change) linmin: converged after 6 iterations. iteration 149: trace = 6.791967496790313 (4.33944e-10% change) large trace change predicted (2.16893e-09%) linmin: converged after 22 iterations. iteration 150: trace = 6.791967496643008 (2.1688e-09% change) linmin: converged after 4 iterations. iteration 151: trace = 6.79196749651947 (1.81889e-09% change) linmin: converged after 6 iterations. iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 5.7248218059539795 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233704149505 (0.029341% change) large trace change predicted (0.119594%) linmin: converged after 4 iterations. iteration 2: trace = 6.77122872818564 (0.118151% change) linmin: converged after 4 iterations. iteration 3: trace = 6.76788727287084 (0.04936% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677160790444 (0.016486% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76553524136044 (0.0182728% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292028812663 (0.00359494% change) large trace change predicted (0.0160508%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215362151291 (0.0159158% change) linmin: converged after 4 iterations. iteration 8: trace = 6.7640744078539 (0.00208385% change) large trace change predicted (0.00881556%) linmin: converged after 3 iterations. iteration 9: trace = 6.763478317595627 (0.00881298% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112350468273 (0.00541108% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840550271752 (0.00401894% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589674807687 (0.00370969% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500230376306 (0.00132264% change) large trace change predicted (0.00532386%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138330078653 (0.00535172% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074172755888 (0.000948777% change) large trace change predicted (0.00413001%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792961235461 (0.00415874% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637719094955 (0.0022959% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443529734488 (0.00287197% change) linmin: converged after 3 iterations. iteration 19: trace = 6.76135434542317 (0.00131902% change) linmin: converged after 5 iterations. iteration 20: trace = 6.761311766874297 (0.000629736% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229363792483 (0.00121875% change) linmin: converged after 5 iterations. iteration 22: trace = 6.761215170610098 (0.00020992% change) large trace change predicted (0.00157727%) linmin: converged after 4 iterations. iteration 23: trace = 6.761108563625406 (0.00157676% change) linmin: converged after 5 iterations. iteration 24: trace = 6.761092201397894 (0.000242005% change) large trace change predicted (0.00138267%) linmin: converged after 4 iterations. iteration 25: trace = 6.760998715872192 (0.00138271% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760981371877431 (0.00025653% change) large trace change predicted (0.000658079%) linmin: converged after 3 iterations. iteration 27: trace = 6.760936824920137 (0.000658885% change) linmin: converged after 4 iterations. iteration 28: trace = 6.760923447438236 (0.000197865% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910147592869 (0.000196717% change) linmin: converged after 3 iterations. iteration 30: trace = 6.760890311372713 (0.000293396% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887282168232 (4.48048e-05% change) large trace change predicted (0.000191206%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874346615541 (0.000191329% change) linmin: converged after 14 iterations. iteration 33: trace = 6.760867978531046 (9.41903e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856625784806 (0.000167919% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760852346347988 (6.32973e-05% change) large trace change predicted (0.00015525%) linmin: converged after 10 iterations. iteration 36: trace = 6.760841857753364 (0.000155137% change) linmin: converged after 3 iterations. iteration 37: trace = 6.76083824537612 (5.34309e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832929740303 (7.86239e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829446462945 (5.15214e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.760828407253998 (1.5371e-05% change) large trace change predicted (5.882e-05%) linmin: converged after 4 iterations. iteration 41: trace = 6.760824431226565 (5.88098e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.760823706351393 (1.07217e-05% change) large trace change predicted (5.521e-05%) linmin: converged after 5 iterations. iteration 43: trace = 6.760819975268813 (5.51868e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760818933583168 (1.54077e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.760817397451483 (2.27211e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 6.760816506038232 (1.3185e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816128060983 (5.5907e-06% change) large trace change predicted (1.42013e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.76081516794176 (1.42012e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760815037114783 (1.93508e-06% change) large trace change predicted (1.2274e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.760814207181001 (1.22756e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814122635201 (1.25053e-06% change) large trace change predicted (7.52087e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.760813614112545 (7.52162e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.760813438657451 (2.59518e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112228708 (4.82825e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.760812964855113 (2.17982e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805891664 (2.35125e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.760812667531352 (2.0465e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.76081262757927 (5.90936e-07% change) large trace change predicted (1.7818e-06%) linmin: converged after 31 iterations. iteration 59: trace = 6.760812507117609 (1.78176e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812489141085 (2.65893e-07% change) large trace change predicted (1.67945e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812375599103 (1.67941e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812364017938 (1.71298e-07% change) large trace change predicted (7.34453e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.760812314362155 (7.34465e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812300203789 (2.09418e-07% change) large trace change predicted (4.297e-07%) linmin: converged after 4 iterations. iteration 65: trace = 6.760812271152631 (4.29699e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812246336019 (3.67066e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.76081223489381 (1.69243e-07% change) large trace change predicted (3.52972e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812211029217 (3.52984e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.760812207709524 (4.9102e-08% change) resetting CG direction... linmin: converged after 26 iterations. iteration 70: trace = 6.760812205115937 (3.83621e-08% change) large trace change predicted (1.10414e-07%) linmin: converged after 13 iterations. iteration 71: trace = 6.76081219765096 (1.10415e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.760812193099664 (6.73188e-08% change) linmin: converged after 10 iterations. iteration 73: trace = 6.760812189419833 (5.44288e-08% change) linmin: converged after 19 iterations. iteration 74: trace = 6.760812183684703 (8.4829e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 6.760812181798141 (2.79044e-08% change) large trace change predicted (7.9846e-08%) linmin: converged after 3 iterations. iteration 76: trace = 6.760812176399958 (7.98452e-08% change) linmin: converged after 22 iterations. iteration 77: trace = 6.760812174751578 (2.43814e-08% change) large trace change predicted (1.12482e-07%) linmin: converged after 7 iterations. iteration 78: trace = 6.760812167146861 (1.12482e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.760812165135612 (2.97486e-08% change) large trace change predicted (6.68494e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812160616077 (6.6849e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.760812157149175 (5.12794e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.760812155153886 (2.95126e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151447763 (5.48177e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.760812149596605 (2.73807e-08% change) linmin: converged after 32 iterations. iteration 85: trace = 6.760812149144228 (6.69116e-09% change) large trace change predicted (1.60166e-08%) linmin: converged after 4 iterations. iteration 86: trace = 6.76081214806138 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 87: trace = 6.760812147844664 (3.20547e-09% change) large trace change predicted (1.30127e-08%) linmin: converged after 8 iterations. iteration 88: trace = 6.76081214696491 (1.30125e-08% change) linmin: converged after 7 iterations. iteration 89: trace = 6.760812146818285 (2.16875e-09% change) large trace change predicted (1.02578e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146124769 (1.02579e-08% change) linmin: converged after 14 iterations. iteration 91: trace = 6.760812145778652 (5.11946e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.760812145286503 (7.27943e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144857756 (6.34166e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.760812144781973 (1.12091e-09% change) large trace change predicted (3.99531e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.76081214451185 (3.99542e-09% change) linmin: converged after 20 iterations. iteration 96: trace = 6.760812144391321 (1.78276e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.760812144325781 (9.69404e-10% change) large trace change predicted (2.03564e-09%) linmin: converged after 21 iterations. iteration 98: trace = 6.760812144188145 (2.03579e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144171469 (2.46663e-10% change) large trace change predicted (1.70611e-09%) linmin: converged after 6 iterations. iteration 100: trace = 6.76081214405612 (1.70615e-09% change) linmin: converged after 3 iterations. iteration 101: trace = 6.760812144045055 (1.6365e-10% change) large trace change predicted (1.05652e-09%) linmin: converged after 24 iterations. iteration 102: trace = 6.76081214397362 (1.05661e-09% change) linmin: converged after 15 iterations. iteration 103: trace = 6.760812143935601 (5.62349e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143927473 (1.20218e-10% change) large trace change predicted (6.25294e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.760812143885199 (6.25276e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 4.428364038467407 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819628661698 (0.0683397% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521839523517 (0.0484174% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878732572187 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531561470045 (0.00510043% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812206997 (0.00988437% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278685201517 (0.0085243% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018736097988 (0.00381989% change) large trace change predicted (0.00764423%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499759913973 (0.00762666% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166052150458 (0.00490434% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208029116 (0.00539161% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143991208 (0.00424866% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404288453464 (0.00155591% change) large trace change predicted (0.00417121%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569090784 (0.00418504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867680929271 (0.00370261% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805669214712 (0.000911557% change) large trace change predicted (0.00372648%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551006257156 (0.00374357% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508919730908 (0.000618689% change) large trace change predicted (0.00153183%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404656420902 (0.00153273% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520532822 (0.001869% change) linmin: converged after 5 iterations. iteration 20: trace = 6.802247414155069 (0.000442594% change) large trace change predicted (0.001287%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763861424 (0.00128856% change) linmin: converged after 3 iterations. iteration 22: trace = 6.80209711638325 (0.000920998% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077237360788 (0.000292249% change) large trace change predicted (0.000723376%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028031576383 (0.000723396% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006288669485 (0.000319654% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991481607076 (0.000217687% change) linmin: converged after 5 iterations. iteration 27: trace = 6.801969367927593 (0.000325106% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957903045565 (0.000168553% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951813831908 (8.95215e-05% change) large trace change predicted (0.000209749%) linmin: converged after 3 iterations. iteration 30: trace = 6.801937548635867 (0.000209722% change) linmin: converged after 5 iterations. iteration 31: trace = 6.801934525942378 (4.44387e-05% change) large trace change predicted (0.000222054%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919425329486 (0.000222005% change) linmin: converged after 4 iterations. iteration 33: trace = 6.801915441680219 (5.85666e-05% change) large trace change predicted (0.0001179%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423888882 (0.000117876% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902761556573 (6.85445e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.801901494015955 (1.86351e-05% change) large trace change predicted (5.41487e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.801897811034239 (5.41464e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895866748854 (2.85845e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985482835 (2.7658e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.80189147262107 (3.69436e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.801890700845299 (1.13465e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235431657 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.801888224442996 (1.48634e-05% change) linmin: converged after 20 iterations. iteration 44: trace = 6.801887980840492 (3.5814e-06% change) large trace change predicted (7.42495e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475818182 (7.42474e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.801887185178447 (4.27293e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.801886748234615 (6.42386e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976399346 (1.13474e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885695022007 (4.13675e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 6.801885358625245 (4.94564e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217423139 (2.07593e-06% change) linmin: converged after 17 iterations. iteration 52: trace = 6.801885140510589 (1.13075e-06% change) linmin: converged after 23 iterations. iteration 53: trace = 6.8018850178674 (1.80308e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.801884972661144 (6.64614e-07% change) large trace change predicted (1.67237e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858907663 (1.67238e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 6.801884766735803 (1.35509e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 6.801884743365361 (3.43588e-07% change) large trace change predicted (7.51348e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692259104 (7.51354e-07% change) linmin: converged after 7 iterations. iteration 59: trace = 6.801884672406457 (2.9187e-07% change) linmin: converged after 6 iterations. iteration 60: trace = 6.801884645652149 (3.93337e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.801884622534045 (3.39878e-07% change) linmin: converged after 15 iterations. iteration 62: trace = 6.801884613615423 (1.3112e-07% change) large trace change predicted (2.88122e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.801884594016905 (2.88134e-07% change) linmin: converged after 8 iterations. iteration 64: trace = 6.801884584516095 (1.39679e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.801884576469059 (1.18306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.80188456659482 (1.45169e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.801884562881307 (5.45954e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.801884555493325 (1.08617e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.801884549058733 (9.46001e-08% change) resetting CG direction... linmin: converged after 15 iterations. iteration 70: trace = 6.801884547554034 (2.21218e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.801884545383357 (3.19129e-08% change) linmin: converged after 8 iterations. iteration 72: trace = 6.801884544195199 (1.74681e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.80188454315787 (1.52506e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.801884541809432 (1.98245e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541427446 (5.61588e-09% change) large trace change predicted (1.89351e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540139519 (1.89349e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.801884539692212 (6.57622e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 6.801884539101566 (8.68356e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 6.801884538450174 (9.57664e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.801884538253588 (2.89018e-09% change) large trace change predicted (1.02646e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.8018845375554 (1.02646e-08% change) linmin: converged after 22 iterations. iteration 82: trace = 6.801884537150822 (5.94804e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 6.801884536946329 (3.00641e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536587771 (5.27146e-09% change) linmin: converged after 23 iterations. iteration 85: trace = 6.801884536358836 (3.36576e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.801884536234699 (1.82504e-09% change) linmin: converged after 14 iterations. iteration 87: trace = 6.801884536094423 (2.0623e-09% change) linmin: converged after 21 iterations. iteration 88: trace = 6.80188453605223 (6.20325e-10% change) large trace change predicted (1.76175e-09%) linmin: converged after 16 iterations. iteration 89: trace = 6.801884535932403 (1.76167e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 6.801884535896058 (5.34339e-10% change) large trace change predicted (1.18821e-09%) linmin: converged after 6 iterations. iteration 91: trace = 6.801884535815229 (1.18833e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535775458 (5.84703e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 6.80188453576309 (1.8183e-10% change) large trace change predicted (4.52487e-10%) linmin: converged after 3 iterations. iteration 94: trace = 6.801884535732312 (4.52493e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535718283 (2.06248e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.80188453570752 (1.58235e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.80188453569156 (2.34649e-10% change) linmin: converged after 10 iterations. iteration 98: trace = 6.801884535683443 (1.19335e-10% change) linmin: converged after 7 iterations. iteration 99: trace = 6.801884535667818 (2.29713e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652636 (2.23197e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 4.4657509326934814 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925882038649622 (0.0869782% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922600920973 (0.0427393% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648510496537 (0.0328541% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688753726099 (0.013869% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278633938682 (0.00592703% change) large trace change predicted (0.014567%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274802967817 (0.0145088% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573100309901 (0.0101433% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717052878642 (0.00581972% change) linmin: converged after 4 iterations. iteration 9: trace = 6.916380857969879 (0.0114167% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938511134318 (0.00639584% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627903828851 (0.00449128% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595408163 (0.008247% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570533658709 (0.00704374% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423410976549 (0.00212774% change) large trace change predicted (0.00433686%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122172538979 (0.00435676% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960745971044 (0.00233476% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682738645422 (0.00402104% change) linmin: converged after 3 iterations. iteration 18: trace = 6.91356962437949 (0.00163611% change) linmin: converged after 3 iterations. iteration 19: trace = 6.913343496481604 (0.00327084% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262827542797 (0.00116687% change) linmin: converged after 5 iterations. iteration 21: trace = 6.913199855061523 (0.000910898% change) linmin: converged after 5 iterations. iteration 22: trace = 6.913142013102168 (0.000836692% change) linmin: converged after 5 iterations. iteration 23: trace = 6.913115926418768 (0.00037735% change) linmin: converged after 3 iterations. iteration 24: trace = 6.91309050341241 (0.000367751% change) linmin: converged after 5 iterations. iteration 25: trace = 6.913046686141634 (0.000633832% change) linmin: converged after 4 iterations. iteration 26: trace = 6.913020078791096 (0.000384887% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001671860747 (0.000266265% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976103550035 (0.000369859% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912965350980596 (0.000155542% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958048248399 (0.000105638% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946398606992 (0.000168519% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912938892000731 (0.000108588% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933382900912 (7.96926e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927765762557 (8.12555e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925419569552 (3.39392e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923360114467 (2.97914e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.912920250075139 (4.49888e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919169456714 (1.56319e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917519066674 (2.3874e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916315539269 (1.74098e-05% change) linmin: converged after 17 iterations. iteration 41: trace = 6.912915794332187 (7.53961e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915207571654 (8.48789e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914545833006 (9.5725e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914247706847 (4.3126e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913753212571 (7.1532e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912913163886589 (8.525e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912853153032 (4.49497e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912671740704 (2.62425e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 6.912912518892522 (2.21105e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 6.912912394741083 (1.79594e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912299273549 (1.381e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.912912139298289 (2.31415e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.912912089732205 (7.17007e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.912911998991057 (1.31263e-06% change) linmin: converged after 13 iterations. iteration 55: trace = 6.912911935450525 (9.19157e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911890746691 (6.46672e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.912911840091572 (7.32761e-07% change) linmin: converged after 23 iterations. iteration 58: trace = 6.912911788980286 (7.3936e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 6.912911777301217 (1.68946e-07% change) large trace change predicted (3.75959e-07%) linmin: converged after 4 iterations. iteration 60: trace = 6.912911751311498 (3.75959e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.912911731156905 (2.9155e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.912911716265699 (2.15411e-07% change) large trace change predicted (4.65098e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911684115905 (4.65069e-07% change) linmin: converged after 25 iterations. iteration 64: trace = 6.912911662399061 (3.14149e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.912911652296632 (1.46139e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911642987268 (1.34666e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.912911630407877 (1.8197e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.912911622204324 (1.1867e-07% change) large trace change predicted (3.31162e-07%) linmin: converged after 6 iterations. iteration 69: trace = 6.912911599310582 (3.31174e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291158715795 (1.75796e-07% change) linmin: converged after 9 iterations. iteration 71: trace = 6.912911579317613 (1.13416e-07% change) linmin: converged after 21 iterations. iteration 72: trace = 6.912911566843272 (1.8045e-07% change) linmin: converged after 8 iterations. iteration 73: trace = 6.912911546531986 (2.93817e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911524245919 (3.22383e-07% change) large trace change predicted (3.42786e-06%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911287072744 (3.43087e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 76: trace = 6.909888069531068 (0.0437425% change) linmin: converged after 9 iterations. iteration 77: trace = 6.909887784314146 (4.12766e-06% change) linmin: converged after 7 iterations. iteration 78: trace = 6.909887500338854 (4.10969e-06% change) linmin: converged after 14 iterations. iteration 79: trace = 6.909887217639132 (4.09123e-06% change) linmin: converged after 7 iterations. iteration 80: trace = 6.909886936250768 (4.07226e-06% change) linmin: converged after 8 iterations. iteration 81: trace = 6.909886656139765 (4.05377e-06% change) linmin: converged after 17 iterations. iteration 82: trace = 6.909886377358567 (4.03453e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.909886099873157 (4.01577e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.909885823729661 (3.99635e-06% change) linmin: converged after 8 iterations. iteration 85: trace = 6.909885548913243 (3.97715e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.909885275421666 (3.95798e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.909885003270273 (3.93858e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 6.909884732454676 (3.91925e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.909884462957761 (3.90017e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.909884194815677 (3.88056e-06% change) linmin: converged after 9 iterations. iteration 91: trace = 6.909883928009607 (3.86122e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 6.909883662522455 (3.84214e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909883398382966 (3.82263e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909883135572693 (3.8034e-06% change) linmin: converged after 11 iterations. iteration 95: trace = 6.909882874088034 (3.78421e-06% change) linmin: converged after 9 iterations. iteration 96: trace = 6.909882613924315 (3.7651e-06% change) linmin: converged after 14 iterations. iteration 97: trace = 6.909882355073152 (3.7461e-06% change) linmin: converged after 12 iterations. iteration 98: trace = 6.909882097524109 (3.72726e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 6.909881841295443 (3.70815e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 6.909881586353091 (3.68953e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.909881332717889 (3.67062e-06% change) linmin: converged after 14 iterations. iteration 102: trace = 6.9098810803694 (3.65199e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.909880829294897 (3.63356e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.909880579485906 (3.61524e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.909880330953644 (3.59677e-06% change) linmin: converged after 5 iterations. iteration 106: trace = 6.909880083666328 (3.57875e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.909879837638996 (3.56052e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 6.909879592851689 (3.54257e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.909879349295867 (3.52475e-06% change) linmin: converged after 7 iterations. iteration 110: trace = 6.909879106952831 (3.5072e-06% change) linmin: converged after 5 iterations. iteration 111: trace = 6.909878865833756 (3.48948e-06% change) linmin: converged after 12 iterations. iteration 112: trace = 6.909878625919669 (3.47204e-06% change) linmin: converged after 6 iterations. iteration 113: trace = 6.909878387191959 (3.45488e-06% change) linmin: converged after 4 iterations. iteration 114: trace = 6.909878149651229 (3.4377e-06% change) linmin: converged after 8 iterations. iteration 115: trace = 6.909877913297339 (3.42052e-06% change) linmin: converged after 6 iterations. iteration 116: trace = 6.90987767810282 (3.40374e-06% change) linmin: converged after 5 iterations. iteration 117: trace = 6.909877444075966 (3.38685e-06% change) linmin: converged after 8 iterations. iteration 118: trace = 6.909877211198532 (3.37021e-06% change) linmin: converged after 6 iterations. iteration 119: trace = 6.909876979452967 (3.35383e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909876748846052 (3.33735e-06% change) linmin: converged after 6 iterations. iteration 121: trace = 6.90987651936019 (3.32113e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.909876290978394 (3.30515e-06% change) linmin: converged after 14 iterations. iteration 123: trace = 6.909876063706172 (3.28909e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909875837526572 (3.27328e-06% change) linmin: converged after 4 iterations. iteration 125: trace = 6.909875612423232 (3.2577e-06% change) linmin: converged after 14 iterations. iteration 126: trace = 6.909875388400514 (3.24207e-06% change) linmin: converged after 14 iterations. iteration 127: trace = 6.909875165442156 (3.22666e-06% change) linmin: converged after 7 iterations. iteration 128: trace = 6.909874943538734 (3.2114e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.90987472268094 (3.19626e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909874502859484 (3.18127e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 6.909874284059315 (3.16649e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.90987406627721 (3.15175e-06% change) linmin: converged after 7 iterations. iteration 133: trace = 6.909873849504065 (3.13715e-06% change) linmin: converged after 7 iterations. iteration 134: trace = 6.909873633736144 (3.1226e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.909873418958933 (3.10827e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909873205158356 (3.09413e-06% change) linmin: converged after 6 iterations. iteration 137: trace = 6.909872992335758 (3.07998e-06% change) linmin: converged after 6 iterations. iteration 138: trace = 6.909872780477195 (3.06603e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909872569573944 (3.0522e-06% change) resetting CG direction... large trace change predicted (0.146065%) linmin: converged after 6 iterations. iteration 140: trace = 6.900112807874646 (0.141344% change) linmin: converged after 4 iterations. iteration 141: trace = 6.886754650031223 (0.193781% change) linmin: converged after 4 iterations. iteration 142: trace = 6.877135062572776 (0.13978% change) linmin: converged after 3 iterations. iteration 143: trace = 6.870506267082638 (0.0964354% change) linmin: converged after 4 iterations. iteration 144: trace = 6.860551169816624 (0.145001% change) linmin: converged after 4 iterations. iteration 145: trace = 6.850685274511307 (0.14391% change) linmin: converged after 4 iterations. iteration 146: trace = 6.843740497784712 (0.101425% change) large trace change predicted (0.309023%) linmin: converged after 5 iterations. iteration 147: trace = 6.823623760537448 (0.294376% change) linmin: converged after 4 iterations. iteration 148: trace = 6.812400398950951 (0.164613% change) linmin: converged after 4 iterations. iteration 149: trace = 6.804952571758172 (0.109387% change) linmin: converged after 4 iterations. iteration 150: trace = 6.792622572528646 (0.181356% change) linmin: converged after 3 iterations. iteration 151: trace = 6.786226468461249 (0.0942069% change) linmin: converged after 4 iterations. iteration 152: trace = 6.774034327979193 (0.179822% change) linmin: converged after 4 iterations. iteration 153: trace = 6.763597790162811 (0.154186% change) linmin: converged after 4 iterations. iteration 154: trace = 6.751468321352629 (0.179496% change) linmin: converged after 4 iterations. iteration 155: trace = 6.744733604502644 (0.0998017% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736517955733518 (0.121883% change) linmin: converged after 4 iterations. iteration 157: trace = 6.730507893032328 (0.089256% change) linmin: converged after 4 iterations. iteration 158: trace = 6.725610070146183 (0.072797% change) linmin: converged after 3 iterations. iteration 159: trace = 6.720070429549343 (0.0824003% change) linmin: converged after 4 iterations. iteration 160: trace = 6.716398936957599 (0.0546497% change) linmin: converged after 4 iterations. iteration 161: trace = 6.711723245098755 (0.0696403% change) linmin: converged after 3 iterations. iteration 162: trace = 6.708465862307571 (0.0485445% change) linmin: converged after 3 iterations. iteration 163: trace = 6.705377631218511 (0.0460454% change) linmin: converged after 3 iterations. iteration 164: trace = 6.7019681115547 (0.0508605% change) linmin: converged after 14 iterations. iteration 165: trace = 6.699720408550249 (0.0335436% change) linmin: converged after 3 iterations. iteration 166: trace = 6.697586295582607 (0.0318588% change) linmin: converged after 3 iterations. iteration 167: trace = 6.695563917062481 (0.0302002% change) linmin: converged after 3 iterations. iteration 168: trace = 6.69318995521045 (0.035462% change) linmin: converged after 4 iterations. iteration 169: trace = 6.691847708888887 (0.0200559% change) linmin: converged after 3 iterations. iteration 170: trace = 6.689836878793695 (0.0300535% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68897407054505 (0.0128981% change) linmin: converged after 3 iterations. iteration 172: trace = 6.687710436118384 (0.0188931% change) linmin: converged after 3 iterations. iteration 173: trace = 6.687077366461639 (0.00946661% change) linmin: converged after 3 iterations. iteration 174: trace = 6.686055406055767 (0.0152838% change) linmin: converged after 3 iterations. iteration 175: trace = 6.685450523046256 (0.00904734% change) linmin: converged after 3 iterations. iteration 176: trace = 6.684549996350713 (0.0134709% change) linmin: converged after 3 iterations. iteration 177: trace = 6.684090730238815 (0.0068708% change) linmin: converged after 3 iterations. iteration 178: trace = 6.683536768548096 (0.00828811% change) linmin: converged after 3 iterations. iteration 179: trace = 6.683209332057007 (0.00489927% change) linmin: converged after 3 iterations. iteration 180: trace = 6.682804628345735 (0.00605571% change) linmin: converged after 3 iterations. iteration 181: trace = 6.682500737701841 (0.00454746% change) linmin: converged after 6 iterations. iteration 182: trace = 6.682187984963646 (0.00468028% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681941626589951 (0.00368686% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681749517040164 (0.0028751% change) linmin: converged after 3 iterations. iteration 185: trace = 6.681583318928936 (0.00248738% change) linmin: converged after 5 iterations. iteration 186: trace = 6.681435949572898 (0.00220563% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681306362279191 (0.00193953% change) linmin: converged after 5 iterations. iteration 188: trace = 6.68118616255739 (0.00179906% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681029168186527 (0.00234983% change) linmin: converged after 4 iterations. iteration 190: trace = 6.68091788698604 (0.00166564% change) linmin: converged after 4 iterations. iteration 191: trace = 6.680793007016501 (0.00186922% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680698925300111 (0.00140825% change) linmin: converged after 3 iterations. iteration 193: trace = 6.680603490590562 (0.00142852% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680555992876951 (0.000710982% change) linmin: converged after 3 iterations. iteration 195: trace = 6.680497530806602 (0.000875112% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680465917269473 (0.000473222% change) linmin: converged after 5 iterations. iteration 197: trace = 6.680419024356515 (0.000701943% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680388053627762 (0.000463606% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680345252324641 (0.000640703% change) linmin: converged after 4 iterations. iteration 200: trace = 6.680315656044407 (0.000443036% change) linmin: converged after 13 iterations. iteration 201: trace = 6.680273977133462 (0.000623908% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680252940741233 (0.000314904% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680221024379043 (0.000477773% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680206060237897 (0.000224007% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680188908244978 (0.000256759% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680180723571723 (0.000122522% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680167171789034 (0.000202866% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680160724540633 (9.65133e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680149211613839 (0.000172345% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 6.680141306405188 (0.000118339% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680129707104666 (0.000173639% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680117724787703 (0.000179373% change) linmin: converged after 3 iterations. iteration 213: trace = 6.680112548768048 (7.7484e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680102826504739 (0.000145541% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680094664191323 (0.000122189% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680091552906312 (4.65755e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.680087526994608 (6.02673e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680084055736089 (5.19643e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680083094998932 (1.43821e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680081318393286 (2.65956e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 6.680079323617409 (2.98616e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680077671618371 (2.47302e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 6.680075761057959 (2.86009e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680073835787651 (2.88211e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680073222712853 (9.17767e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680072529492016 (1.03774e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680071660450433 (1.30095e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 6.680071348592291 (4.66849e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680070763749358 (8.75504e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680070265447124 (7.45954e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680069810866106 (6.80503e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680069647127132 (2.45116e-06% change) large trace change predicted (5.89221e-06%) linmin: converged after 2 iterations. iteration 233: trace = 6.680069253517108 (5.8923e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 6.680068947926481 (4.57466e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 6.680068802272046 (2.18043e-06% change) linmin: converged after 13 iterations. iteration 236: trace = 6.680068641203307 (2.41118e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 6.680068538496874 (1.53751e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 6.680068501532514 (5.53353e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 6.680068438512994 (9.43396e-07% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068379295211 (8.86485e-07% change) linmin: converged after 11 iterations. iteration 241: trace = 6.680068348463998 (4.6154e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.68006830935616 (5.85441e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068281396476 (4.18554e-07% change) linmin: converged after 5 iterations. iteration 244: trace = 6.680068269147787 (1.83362e-07% change) linmin: converged after 5 iterations. iteration 245: trace = 6.6800682516701 (2.61639e-07% change) linmin: converged after 6 iterations. iteration 246: trace = 6.680068231541936 (3.01317e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.68006822014569 (1.70601e-07% change) linmin: converged after 4 iterations. iteration 248: trace = 6.680068214812728 (7.9834e-08% change) linmin: converged after 4 iterations. iteration 249: trace = 6.680068207046533 (1.16259e-07% change) linmin: converged after 7 iterations. iteration 250: trace = 6.68006819870077 (1.24935e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068195620726 (4.6108e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068190690411 (7.38064e-08% change) linmin: converged after 6 iterations. iteration 253: trace = 6.680068188124061 (3.8418e-08% change) linmin: converged after 31 iterations. iteration 254: trace = 6.680068186230165 (2.83514e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068183548971 (4.01372e-08% change) linmin: converged after 6 iterations. iteration 256: trace = 6.680068181084417 (3.68941e-08% change) linmin: converged after 9 iterations. iteration 257: trace = 6.680068180529753 (8.30327e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068179648179 (1.31971e-08% change) linmin: converged after 10 iterations. iteration 259: trace = 6.680068178936502 (1.06538e-08% change) linmin: converged after 7 iterations. iteration 260: trace = 6.680068178568506 (5.50886e-09% change) linmin: converged after 7 iterations. iteration 261: trace = 6.680068178358582 (3.14255e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068178086279 (4.07635e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177950682 (2.02987e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068177805048 (2.18012e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177579251 (3.38016e-09% change) linmin: converged after 21 iterations. iteration 266: trace = 6.680068177456648 (1.83536e-09% change) linmin: converged after 22 iterations. iteration 267: trace = 6.680068177411629 (6.73932e-10% change) large trace change predicted (1.36988e-09%) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177320161 (1.36927e-09% change) linmin: converged after 3 iterations. iteration 269: trace = 6.680068177254681 (9.80231e-10% change) linmin: converged after 11 iterations. iteration 270: trace = 6.680068177226591 (4.20498e-10% change) linmin: converged after 13 iterations. iteration 271: trace = 6.68006817717807 (7.26358e-10% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177149542 (4.27053e-10% change) linmin: converged after 15 iterations. iteration 273: trace = 6.680068177134154 (2.30366e-10% change) linmin: converged after 7 iterations. iteration 274: trace = 6.680068177119505 (2.1929e-10% change) linmin: converged after 16 iterations. iteration 275: trace = 6.68006817709515 (3.64588e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 9.754441738128662 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587647107056 (0.0686622% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159867781105 (0.0665594% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179278398916 (0.029787% change) linmin: converged after 11 iterations. iteration 4: trace = 6.64753428827374 (0.00970223% change) linmin: converged after 4 iterations. iteration 5: trace = 6.646966711507838 (0.00853852% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645994103904903 (0.0146334% change) linmin: converged after 7 iterations. iteration 7: trace = 6.645304795434273 (0.0103723% change) linmin: converged after 5 iterations. iteration 8: trace = 6.644933112305865 (0.00559333% change) linmin: converged after 4 iterations. iteration 9: trace = 6.644423384405195 (0.00767122% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201201600824 (0.00334395% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990357561754 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843598182427 (0.00220893% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564792914024 (0.00419653% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279683137933 (0.00429161% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071635833856 (0.00313174% change) linmin: converged after 13 iterations. iteration 16: trace = 6.642974802986185 (0.00145766% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909152389527 (0.000988276% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890198485007 (0.000285326% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868869752618 (0.000321077% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841265095529 (0.000415554% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822909072448 (0.000276328% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067487298 (0.000268585% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440630938 (0.000205137% change) linmin: converged after 4 iterations. iteration 24: trace = 6.642785629385782 (8.7482e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972183236 (4.00013e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780011656292 (4.45676e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.642778218592625 (2.69927e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.642777034519781 (1.7825e-05% change) large trace change predicted (3.72542e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560797502 (3.72393e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773636337617 (1.39168e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723116847 (1.37476e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828275745 (1.34709e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.6427708758641 (1.43376e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554213544 (4.84211e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 6.642770128476467 (6.40903e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885792485 (3.65336e-06% change) linmin: converged after 14 iterations. iteration 37: trace = 6.64276977675445 (1.64145e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.642769636190063 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952993943 (1.59949e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 6.642769482550485 (7.13391e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.642769417347201 (9.81568e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718978 (5.514e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352341737 (4.2719e-07% change) linmin: converged after 15 iterations. iteration 44: trace = 6.642769335010302 (2.60907e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308420513 (4.00282e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.642769295753125 (1.90694e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 6.642769286124278 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 6.642769278116051 (1.20556e-07% change) linmin: converged after 15 iterations. iteration 49: trace = 6.642769268635163 (1.42725e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264679356 (5.95506e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258364048 (9.50704e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255028356 (5.02154e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253596793 (2.15507e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332918 (3.40803e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 6.64276925007824 (1.88879e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249336583 (1.11649e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248110906 (1.84513e-08% change) linmin: converged after 10 iterations. iteration 58: trace = 6.642769246939288 (1.76375e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246530508 (6.15375e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 6.642769246056794 (7.13128e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245799189 (3.87797e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.642769245597216 (3.0405e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.64276924536166 (3.54604e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245063349 (4.49077e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244986269 (1.16035e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.642769244866158 (1.80815e-09% change) linmin: converged after 12 iterations. iteration 67: trace = 6.642769244789783 (1.14974e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 6.64276924474427 (6.85163e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244696984 (7.11838e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.642769244672526 (3.68186e-10% change) linmin: converged after 17 iterations. iteration 71: trace = 6.642769244656923 (2.34895e-10% change) linmin: converged after 12 iterations. iteration 72: trace = 6.642769244637179 (2.97215e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 6.642769244619195 (2.70741e-10% change) linmin: converged after 6 iterations. iteration 74: trace = 6.642769244609402 (1.47411e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598618 (1.62346e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.642769244581568 (2.56675e-10% change) linmin: converged after 6 iterations. iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 2.2402257919311523 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.68742931650452 (0.117811% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68264724993627 (0.0715339% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627785477054 (0.0451939% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424620075824 (0.0779264% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593745708849 (0.0574128% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532231866325 (0.0159146% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698851707744 (0.0124961% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450144262116 (0.0187267% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854082081396 (0.00894028% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560972014663 (0.00439662% change) large trace change predicted (0.0103219%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873835374994 (0.0103077% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343845652399 (0.00795111% change) linmin: converged after 4 iterations. iteration 13: trace = 6.6649606862781 (0.0057487% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471825373208 (0.00733506% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343389402832 (0.00192719% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235362018363 (0.00162099% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099940391363 (0.00203209% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928196790676 (0.00257718% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861617064658 (0.000999111% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812745431779 (0.000733386% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735496481276 (0.00115924% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674584800469 (0.000914081% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634505870812 (0.000601456% change) linmin: converged after 9 iterations. iteration 24: trace = 6.663593036444581 (0.000622326% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573590797871 (0.00029182% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019963311 (0.000143629% change) linmin: converged after 5 iterations. iteration 27: trace = 6.663549047822354 (0.000224687% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235432437 (8.72267e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539630863594 (5.40939e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020892542 (5.4175e-05% change) large trace change predicted (0.000126921%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527561138237 (0.000126956% change) linmin: converged after 3 iterations. iteration 32: trace = 6.663522804103543 (7.13892e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519840010221 (4.44824e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773109635 (4.60252e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 6.663513854797477 (4.37954e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66351282127115 (1.55102e-05% change) large trace change predicted (3.45247e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520492019 (3.4528e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473855813 (1.5707e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905948412 (6.21852e-06% change) large trace change predicted (1.52973e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508040074779 (1.52984e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.66350736878073 (1.00742e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506898774938 (7.05343e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558850175 (5.10129e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.663506414509431 (2.16614e-06% change) linmin: converged after 28 iterations. iteration 45: trace = 6.663506331481697 (1.24601e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506215056473 (1.74721e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039962352 (2.62766e-06% change) linmin: converged after 18 iterations. iteration 48: trace = 6.663505983919635 (8.41039e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 6.663505907580257 (1.14563e-06% change) linmin: converged after 13 iterations. iteration 50: trace = 6.663505851053846 (8.48298e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805273885 (6.87025e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790517945 (2.21444e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766537905 (3.59871e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 6.663505741527417 (3.75335e-07% change) linmin: converged after 23 iterations. iteration 55: trace = 6.663505723766454 (2.66541e-07% change) linmin: converged after 30 iterations. iteration 56: trace = 6.663505707395612 (2.45679e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697307992 (1.51386e-07% change) linmin: converged after 9 iterations. iteration 58: trace = 6.663505694719878 (3.88401e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691931844 (4.18403e-08% change) linmin: converged after 5 iterations. iteration 60: trace = 6.663505688935059 (4.49731e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686196303 (4.11008e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684949426 (1.8712e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683329686 (2.43076e-08% change) linmin: converged after 12 iterations. iteration 64: trace = 6.663505682013065 (1.97587e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681318125 (1.0429e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.66350568000373 (1.97253e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.66350567919139 (1.21909e-08% change) linmin: converged after 6 iterations. iteration 68: trace = 6.663505678759838 (6.47635e-09% change) linmin: converged after 4 iterations. iteration 69: trace = 6.663505678470865 (4.33666e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.663505678324041 (2.2034e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226369 (1.46578e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094277 (1.98233e-09% change) linmin: converged after 10 iterations. iteration 73: trace = 6.663505677965077 (1.93892e-09% change) linmin: converged after 18 iterations. iteration 74: trace = 6.66350567790878 (8.44845e-10% change) linmin: converged after 5 iterations. iteration 75: trace = 6.663505677805992 (1.54256e-09% change) linmin: converged after 17 iterations. iteration 76: trace = 6.663505677741501 (9.67818e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677712489 (4.35392e-10% change) linmin: converged after 6 iterations. iteration 78: trace = 6.663505677678069 (5.16539e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642904 (5.27722e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622344 (3.08553e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66350567759534 (4.05255e-10% change) linmin: converged after 7 iterations. iteration 82: trace = 6.663505677568731 (3.99323e-10% change) linmin: converged after 8 iterations. iteration 83: trace = 6.663505677547433 (3.19616e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.66350567753745 (1.49818e-10% change) linmin: converged after 17 iterations. iteration 85: trace = 6.663505677527924 (1.42953e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520225 (1.15549e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 2.331286668777466 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447576192536 (0.144039% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974342923063 (0.0960248% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141779138002 (0.0866001% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828824799297 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434301434448 (0.0504902% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207953828 (0.036786% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543137081957 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463667344186 (0.0160707% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767538644822 (0.010365% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605745657165 (0.017301% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521880138656 (0.0161432% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581824447608 (0.0140034% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589810654388 (0.0147795% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907667568817 (0.0101642% change) linmin: converged after 10 iterations. iteration 15: trace = 6.710743951444661 (0.00243958% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647844937 (0.00478801% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149737642435 (0.00406704% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926502205309 (0.00332689% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615223170183 (0.00463919% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383091625185 (0.00345974% change) linmin: converged after 5 iterations. iteration 21: trace = 6.709272391414308 (0.00164994% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433466661 (0.0016091% change) linmin: converged after 5 iterations. iteration 23: trace = 6.70908228328382 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655657285 (0.000620469% change) linmin: converged after 5 iterations. iteration 25: trace = 6.709012986378738 (0.000412419% change) linmin: converged after 5 iterations. iteration 26: trace = 6.708973601698106 (0.000587043% change) linmin: converged after 4 iterations. iteration 27: trace = 6.708949152657861 (0.000364424% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965639722 (0.000141546% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851719259 (0.000265388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911469458197 (0.000154753% change) linmin: converged after 4 iterations. iteration 31: trace = 6.70890382172838 (0.000113994% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718526304 (0.000150594% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883945393598 (0.000145674% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879440618364 (6.71464e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.70887148922375 (0.000118521% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031276438 (8.13542e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863197039666 (4.22461e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829014249 (3.5297e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 6.708858447965409 (3.54911e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699851949 (2.1605e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902078135 (3.12489e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 6.708852610157979 (3.41626e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 6.708851929415184 (1.01469e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237626785 (1.03116e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.70885027561984 (1.43394e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646388729 (9.37912e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882347832 (1.13886e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312891008 (8.48815e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879057657 (6.46658e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658500213 (3.28756e-06% change) large trace change predicted (7.00998e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188193878 (7.01024e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832260756 (5.30543e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.708846619290997 (3.17446e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387823803 (3.45018e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 6.708846177703117 (3.13199e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 6.708846099890919 (1.15984e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988799521 (1.65589e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.708845926155869 (9.33747e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.708845871850761 (8.09455e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822809999 (7.30987e-07% change) linmin: converged after 13 iterations. iteration 61: trace = 6.708845760356785 (9.30908e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845743003738 (2.58659e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724909576 (2.69706e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.708845702105168 (3.39916e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.708845680327379 (3.24613e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664241937 (2.39765e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650777155 (2.00702e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.70884564540356 (8.00972e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642040083 (5.0135e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.708845640023133 (3.0064e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674435 (3.5009e-08% change) linmin: converged after 7 iterations. iteration 72: trace = 6.708845634535178 (4.67928e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632986879 (2.30785e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.708845630875833 (3.14666e-08% change) linmin: converged after 5 iterations. iteration 75: trace = 6.708845629670519 (1.7966e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753616 (1.36671e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.70884562822794 (7.83556e-09% change) large trace change predicted (2.48466e-08%) linmin: converged after 23 iterations. iteration 78: trace = 6.708845626561008 (2.48468e-08% change) linmin: converged after 9 iterations. iteration 79: trace = 6.708845625403148 (1.72587e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.70884562479595 (9.05071e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 6.708845624335575 (6.86222e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.708845623794146 (8.07036e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.708845623391334 (6.00419e-09% change) linmin: converged after 18 iterations. iteration 84: trace = 6.708845623153671 (3.54254e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622824374 (4.90841e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.708845622521746 (4.51087e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.708845622386532 (2.01547e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195872 (2.84192e-09% change) linmin: converged after 13 iterations. iteration 89: trace = 6.70884562208354 (1.67439e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.708845622026524 (8.49859e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.70884562197662 (7.43855e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 6.708845621907461 (1.03086e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621861144 (6.90383e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 6.708845621839582 (3.21401e-10% change) linmin: converged after 7 iterations. iteration 95: trace = 6.708845621811404 (4.20005e-10% change) linmin: converged after 20 iterations. iteration 96: trace = 6.708845621769485 (6.24837e-10% change) linmin: converged after 2 iterations. iteration 97: trace = 6.708845621745693 (3.54631e-10% change) linmin: converged after 9 iterations. iteration 98: trace = 6.708845621735803 (1.47429e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.708845621726293 (1.41749e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714833 (1.70822e-10% change) linmin: converged after 16 iterations. iteration 101: trace = 6.708845621703096 (1.74939e-10% change) linmin: converged after 2 iterations. iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 1.4448494911193848 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698402540012 (0.215823% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922809184626 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206232693758 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344397442 (0.0879779% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899822538645 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681340451685 (0.0328188% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578769755 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75583213723433 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118420493429 (0.0253697% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749024984656 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302777868128 (0.0362379% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516468829814 (0.0116509% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249192728425 (0.0187804% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632657937885 (0.00913799% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834648382977 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859682247 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977423369205 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390498642494 (0.00870332% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072725681261 (0.00471247% change) linmin: converged after 3 iterations. iteration 20: trace = 6.74271595156103 (0.00529111% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464067615607 (0.00373571% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330442516543 (0.00198186% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122757347128 (0.00308036% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003824595118 (0.00176404% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881004987275 (0.00182172% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398443999 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598216273 (0.00242966% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235165387 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464304385 (0.00170247% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264289297 (0.00187204% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141889768689 (0.00178565% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091944003339 (0.000740912% change) large trace change predicted (0.00157116%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986066559797 (0.00157064% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890541670522 (0.00141709% change) linmin: converged after 3 iterations. iteration 35: trace = 6.7408213747181 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737624556463 (0.00124244% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829510442 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883340712 (0.000473933% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082550813 (0.000412437% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553168162 (0.000467754% change) linmin: converged after 7 iterations. iteration 41: trace = 6.74053612837471 (0.000510712% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511929686533 (0.000359003% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477773353071 (0.000506733% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464321378628 (0.00019957% change) linmin: converged after 4 iterations. iteration 45: trace = 6.740454926780418 (0.000139376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291111251 (0.000178262% change) linmin: converged after 3 iterations. iteration 47: trace = 6.74043321663761 (0.000143826% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427223431901 (8.89143e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422385872732 (7.17694e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.740416728690716 (8.39292e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414143557759 (3.83527e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995084093 (3.18745e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269342337 (4.04388e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.740406804496367 (3.65682e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527571734 (1.89443e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.740404266827904 (1.87043e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728311245 (7.98938e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.740403437939013 (4.30794e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943742991 (7.33185e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141544934 (1.19013e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.740401774224003 (5.44954e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383616216 (5.79502e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.740401213266169 (2.5273e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 6.740401083251827 (1.92888e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960788135 (1.81686e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775678938 (2.74626e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708064454 (1.00312e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.7404006600371 (7.1253e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.740400622536338 (5.56358e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.740400603098549 (2.88377e-07% change) linmin: converged after 5 iterations. iteration 71: trace = 6.740400587214242 (2.35658e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563938179 (3.45322e-07% change) linmin: converged after 7 iterations. iteration 73: trace = 6.740400533808574 (4.47e-07% change) linmin: converged after 15 iterations. iteration 74: trace = 6.740400521523085 (1.82266e-07% change) linmin: converged after 15 iterations. iteration 75: trace = 6.740400502324264 (2.84832e-07% change) linmin: converged after 7 iterations. iteration 76: trace = 6.740400485755293 (2.45816e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468326008 (2.58579e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451024832 (2.56679e-07% change) linmin: converged after 25 iterations. iteration 79: trace = 6.740400430657317 (3.02171e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041960462 (1.63977e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.740400411507297 (1.20131e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400768515 (1.5932e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386871048 (2.06182e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 6.740400376262158 (1.57393e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 6.740400359182829 (2.53387e-07% change) linmin: converged after 10 iterations. iteration 86: trace = 6.740400345748313 (1.99313e-07% change) linmin: converged after 10 iterations. iteration 87: trace = 6.740400338468786 (1.07998e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 6.740400333643256 (7.15911e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326301053 (1.08928e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.74040031633631 (1.47836e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308681972 (1.13559e-07% change) linmin: converged after 10 iterations. iteration 92: trace = 6.74040030005929 (1.27925e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.740400294142137 (8.77864e-08% change) linmin: converged after 8 iterations. iteration 94: trace = 6.740400290939562 (4.75131e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.740400289529115 (2.09253e-08% change) large trace change predicted (5.32799e-08%) linmin: converged after 3 iterations. iteration 96: trace = 6.740400285937808 (5.32803e-08% change) linmin: converged after 7 iterations. iteration 97: trace = 6.740400283463555 (3.67078e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281359919 (3.12094e-08% change) linmin: converged after 18 iterations. iteration 99: trace = 6.740400280453484 (1.34478e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.740400279643643 (1.20147e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278718579 (1.37242e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.740400277875298 (1.25108e-08% change) linmin: converged after 9 iterations. iteration 103: trace = 6.740400277061934 (1.2067e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276406529 (9.72354e-09% change) linmin: converged after 7 iterations. iteration 105: trace = 6.74040027574557 (9.80594e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 6.74040027537741 (5.46199e-09% change) linmin: converged after 18 iterations. iteration 107: trace = 6.740400275190824 (2.76817e-09% change) linmin: converged after 17 iterations. iteration 108: trace = 6.740400275002443 (2.7948e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 6.740400274841483 (2.38799e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 6.740400274671768 (2.51788e-09% change) linmin: converged after 2 iterations. iteration 111: trace = 6.740400274625507 (6.86321e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 6.740400274539467 (1.27649e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.740400274488167 (7.61087e-10% change) linmin: converged after 21 iterations. iteration 114: trace = 6.740400274429472 (8.70785e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274391492 (5.63472e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274344982 (6.9001e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274310222 (5.15706e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 6.74040027429874 (1.70338e-10% change) large trace change predicted (3.6214e-10%) linmin: converged after 10 iterations. iteration 119: trace = 6.740400274274326 (3.62208e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274257132 (2.55092e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 6.740400274245594 (1.71168e-10% change) linmin: converged after 9 iterations. iteration 122: trace = 6.740400274235709 (1.46659e-10% change) linmin: converged after 7 iterations. iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 3.271672010421753 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868941618761 (0.213565% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022098480381 (0.174682% change) linmin: converged after 3 iterations. iteration 3: trace = 6.76992906661587 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085857494177 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298901818625 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340700372273 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043700357894 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627087966904 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119981759141 (0.051912% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635252414195 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275853760886 (0.0349517% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513930768448 (0.0112896% change) large trace change predicted (0.0342017%) linmin: converged after 3 iterations. iteration 13: trace = 6.74618277875398 (0.0345492% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300917410761 (0.0278991% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003501068925 (0.0340704% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281226318531 (0.0255487% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215712577741 (0.0158094% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862119498992 (0.00524694% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332341719693 (0.00786184% change) linmin: converged after 3 iterations. iteration 20: trace = 6.73762597786491 (0.0104833% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211476994393 (0.00615222% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596718922851 (0.00912523% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116020675262 (0.00713588% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569722372651 (0.00811032% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736074355 (0.00384513% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879752491319 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393252444057 (0.00722385% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901766968647 (0.00729841% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209908076175 (0.0102748% change) linmin: converged after 6 iterations. iteration 30: trace = 6.732349668676493 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921925214846 (0.00635376% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146116644943 (0.00684462% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024321106626 (0.00648982% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758298578559 (0.00395226% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487930056411 (0.00401699% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155608346905 (0.00493768% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721105743319 (0.00645626% change) linmin: converged after 5 iterations. iteration 38: trace = 6.729527833788968 (0.00287196% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325309272428 (0.00300954% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238825161824 (0.00128519% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183790569028 (0.000817846% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120122972619 (0.000946146% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017043899399 (0.00153185% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331353364 (0.000813087% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906726607305 (0.000826353% change) linmin: converged after 3 iterations. iteration 46: trace = 6.7288674966053 (0.000583009% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431854964 (0.000283328% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839597388681 (0.000131292% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828037458575 (0.000171797% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815695933926 (0.000183413% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808306215958 (0.000109822% change) linmin: converged after 3 iterations. iteration 52: trace = 6.728797313712378 (0.000163365% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790324696873 (0.000103867% change) linmin: converged after 5 iterations. iteration 54: trace = 6.728785445280219 (7.25155e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936304378 (5.21487e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421827271 (6.70921e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774456663765 (4.40669e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.728770671165874 (5.62584e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385179979 (6.36964e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704126928 (9.9291e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756010862691 (5.48878e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751331413709 (6.95441e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.728747964603276 (5.00362e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081765632 (2.7982e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743718559665 (3.51211e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.728741219483796 (3.71403e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737884044169 (4.95701e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364386599 (3.74462e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 6.728731339106885 (5.98223e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730345702195 (1.47636e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609107984 (1.0947e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724223193 (1.31508e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727748843896 (1.44957e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117814104 (9.37814e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726358653099 (1.12824e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72872554741707 (1.20563e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.72872509030366 (6.79346e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367522501 (1.07417e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.72872358826846 (1.1581e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668986204 (1.36621e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087340357 (8.64422e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147171524 (1.39725e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720480061222 (9.91437e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.728720022561202 (6.79921e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719590887069 (6.4154e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719153441071 (6.50118e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.728718340009831 (1.20889e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.72871740899841 (1.38364e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 6.728717035071343 (5.55718e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.728716494418849 (8.035e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716174161589 (4.75956e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.72871587428043 (4.45674e-06% change) linmin: converged after 11 iterations. iteration 93: trace = 6.72871560798205 (3.95764e-06% change) large trace change predicted (1.12239e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852607432 (1.12261e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143438846 (1.05394e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790549917 (5.24452e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.728713564804392 (3.35496e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 6.728713374895941 (2.82236e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158701467 (3.21301e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.728713034439581 (1.84674e-06% change) large trace change predicted (4.58133e-06%) linmin: converged after 10 iterations. iteration 101: trace = 6.72871272617565 (4.58132e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.728712545133647 (2.69059e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.72871245663579 (1.31523e-06% change) linmin: converged after 5 iterations. iteration 104: trace = 6.728712395632627 (9.0661e-07% change) linmin: converged after 18 iterations. iteration 105: trace = 6.728712336928318 (8.72445e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712234813192 (1.5176e-06% change) linmin: converged after 18 iterations. iteration 107: trace = 6.728712175414977 (8.82758e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079897969 (1.41954e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.728712039127421 (6.05919e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712017364623 (3.23432e-07% change) linmin: converged after 3 iterations. iteration 111: trace = 6.728711999663398 (2.6307e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 6.728711988199205 (1.70377e-07% change) large trace change predicted (5.35313e-07%) linmin: converged after 4 iterations. iteration 113: trace = 6.728711952180902 (5.35293e-07% change) linmin: converged after 3 iterations. iteration 114: trace = 6.728711934350375 (2.64992e-07% change) linmin: converged after 9 iterations. iteration 115: trace = 6.728711913892715 (3.04035e-07% change) linmin: converged after 4 iterations. iteration 116: trace = 6.728711900894777 (1.93171e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.728711892057472 (1.31337e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886381656 (8.43522e-08% change) linmin: converged after 9 iterations. iteration 119: trace = 6.728711875162885 (1.6673e-07% change) linmin: converged after 7 iterations. iteration 120: trace = 6.728711860792624 (2.13566e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711852035588 (1.30144e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846069638 (8.86641e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.72871184011905 (8.84358e-08% change) linmin: converged after 4 iterations. iteration 124: trace = 6.728711834492496 (8.36201e-08% change) linmin: converged after 14 iterations. iteration 125: trace = 6.728711831295445 (4.75136e-08% change) large trace change predicted (1.17141e-07%) linmin: converged after 5 iterations. iteration 126: trace = 6.728711823413446 (1.1714e-07% change) linmin: converged after 9 iterations. iteration 127: trace = 6.728711817748645 (8.41885e-08% change) linmin: converged after 18 iterations. iteration 128: trace = 6.728711814569593 (4.72461e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812211834 (3.50403e-08% change) large trace change predicted (8.45552e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806522409 (8.45544e-08% change) large trace change predicted (2.29726e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791065719 (2.29712e-07% change) linmin: converged after 4 iterations. iteration 132: trace = 6.728711774760903 (2.42317e-07% change) linmin: converged after 4 iterations. iteration 133: trace = 6.728711761604093 (1.95532e-07% change) linmin: converged after 4 iterations. iteration 134: trace = 6.728711750597898 (1.63571e-07% change) large trace change predicted (4.60699e-07%) linmin: converged after 10 iterations. iteration 135: trace = 6.728711719599451 (4.60689e-07% change) linmin: converged after 2 iterations. iteration 136: trace = 6.728711660575756 (8.77192e-07% change) large trace change predicted (2.08552e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711520211803 (2.08605e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728465052028371 (0.003663% change) linmin: converged after 5 iterations. iteration 139: trace = 6.728464202183762 (1.26306e-05% change) resetting CG direction... large trace change predicted (0.0184248%) linmin: converged after 4 iterations. iteration 140: trace = 6.727225670170559 (0.018409% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726387590530656 (0.0124588% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725680184433979 (0.0105174% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724746201346508 (0.0138878% change) linmin: converged after 7 iterations. iteration 144: trace = 6.724256167612527 (0.00728729% change) large trace change predicted (0.0177432%) linmin: converged after 3 iterations. iteration 145: trace = 6.723058136479112 (0.0178181% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721590996713515 (0.0218249% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720496417550089 (0.0162859% change) linmin: converged after 14 iterations. iteration 148: trace = 6.720120980306572 (0.00558661% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719629682860772 (0.00731111% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719110763872809 (0.00772273% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718622998640353 (0.00725964% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717873329396619 (0.0111587% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717203357534577 (0.00997347% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716425495957477 (0.0115808% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716037014926792 (0.00578421% change) linmin: converged after 4 iterations. iteration 156: trace = 6.715270861601974 (0.0114085% change) linmin: converged after 3 iterations. iteration 157: trace = 6.714234395327811 (0.0154357% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713314192592557 (0.0137062% change) linmin: converged after 3 iterations. iteration 159: trace = 6.711854503131645 (0.0217456% change) linmin: converged after 5 iterations. iteration 160: trace = 6.709898602357587 (0.0291452% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707657310593067 (0.0334083% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70652710815731 (0.0168509% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704294987753909 (0.0332883% change) linmin: converged after 6 iterations. iteration 164: trace = 6.702317773522212 (0.0294961% change) linmin: converged after 5 iterations. iteration 165: trace = 6.699271102363946 (0.0454673% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695290056097197 (0.0594427% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691518722870164 (0.056344% change) linmin: converged after 5 iterations. iteration 168: trace = 6.687850703536997 (0.054831% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685975389033564 (0.0280445% change) linmin: converged after 4 iterations. iteration 170: trace = 6.684721883185482 (0.01875% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683252265551213 (0.0219871% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682221944554534 (0.0154176% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681419790185795 (0.012005% change) linmin: converged after 4 iterations. iteration 174: trace = 6.68015895408827 (0.0188726% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678688261946259 (0.0220182% change) linmin: converged after 4 iterations. iteration 176: trace = 6.677398674762745 (0.0193109% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675743896738738 (0.0247848% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673850196175163 (0.0283709% change) linmin: converged after 4 iterations. iteration 179: trace = 6.672013635763772 (0.0275225% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670262185606556 (0.0262541% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669026805118524 (0.0185224% change) linmin: converged after 5 iterations. iteration 182: trace = 6.668049543301572 (0.0146548% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666906768726656 (0.0171395% change) linmin: converged after 5 iterations. iteration 184: trace = 6.665999390113961 (0.0136111% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665499340640187 (0.00750177% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665024495688508 (0.00712418% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664418224479248 (0.00909672% change) linmin: converged after 7 iterations. iteration 188: trace = 6.663924294348037 (0.00741173% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663518663923695 (0.00608715% change) linmin: converged after 3 iterations. iteration 190: trace = 6.663009199644129 (0.00764587% change) linmin: converged after 5 iterations. iteration 191: trace = 6.662347801470429 (0.00992691% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661524813297024 (0.0123536% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660609132042394 (0.0137468% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659930512179589 (0.0101891% change) linmin: converged after 6 iterations. iteration 195: trace = 6.659423967212249 (0.00760615% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658845882317971 (0.00868108% change) linmin: converged after 3 iterations. iteration 197: trace = 6.65833465823114 (0.00767766% change) linmin: converged after 3 iterations. iteration 198: trace = 6.658045818890158 (0.00433811% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657814669536256 (0.00347179% change) linmin: converged after 4 iterations. iteration 200: trace = 6.657518703428868 (0.00444549% change) linmin: converged after 3 iterations. iteration 201: trace = 6.65721478112431 (0.0045652% change) linmin: converged after 5 iterations. iteration 202: trace = 6.656933532200783 (0.00422481% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656587843600366 (0.00519305% change) linmin: converged after 4 iterations. iteration 204: trace = 6.656175076130328 (0.00620108% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655736760430188 (0.00658532% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655282372011525 (0.00682725% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654934601432212 (0.00522562% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654678151045698 (0.00385361% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654370645668481 (0.004621% change) resetting CG direction... large trace change predicted (0.00953096%) linmin: converged after 3 iterations. iteration 210: trace = 6.653734021942329 (0.00956746% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652971331034476 (0.0114633% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652002827476375 (0.0145585% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651286209350241 (0.0107735% change) linmin: converged after 5 iterations. iteration 214: trace = 6.650837271835792 (0.00674986% change) large trace change predicted (0.0193391%) linmin: converged after 3 iterations. iteration 215: trace = 6.649539474461997 (0.0195152% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648510083372565 (0.0154818% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647980339916255 (0.00796817% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647615451110134 (0.00548887% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647091317934905 (0.00788484% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646422541909829 (0.0100617% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645551228482385 (0.0131104% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644472138878054 (0.0162391% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644009893870725 (0.00695708% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643710157708425 (0.00451148% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643375303506406 (0.0050403% change) linmin: converged after 4 iterations. iteration 226: trace = 6.64275621234844 (0.00931936% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642363878543177 (0.00590636% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641680994332497 (0.0102813% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641114758871316 (0.00852585% change) linmin: converged after 3 iterations. iteration 230: trace = 6.64071368687978 (0.00603941% change) linmin: converged after 7 iterations. iteration 231: trace = 6.640434090562495 (0.00421042% change) linmin: converged after 5 iterations. iteration 232: trace = 6.640119211598217 (0.00474196% change) linmin: converged after 6 iterations. iteration 233: trace = 6.639902046612212 (0.00327055% change) linmin: converged after 4 iterations. iteration 234: trace = 6.63957501130691 (0.00492542% change) linmin: converged after 7 iterations. iteration 235: trace = 6.639325072147652 (0.00376446% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639218484211825 (0.00160542% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639148710078965 (0.00105094% change) linmin: converged after 6 iterations. iteration 238: trace = 6.639067895394519 (0.00121725% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639016127198259 (0.000779754% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638968472542567 (0.0007178% change) linmin: converged after 4 iterations. iteration 241: trace = 6.63889603719281 (0.00109107% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638849856045798 (0.000695617% change) linmin: converged after 3 iterations. iteration 243: trace = 6.63881574346586 (0.000513834% change) linmin: converged after 8 iterations. iteration 244: trace = 6.638799478784 (0.000244994% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638789010025883 (0.000157691% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638782676455686 (9.54025e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 6.638771442919003 (0.000169211% change) linmin: converged after 5 iterations. iteration 248: trace = 6.63876396797207 (0.000112595% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638757041238585 (0.000104338% change) linmin: converged after 4 iterations. iteration 250: trace = 6.63875181895463 (7.86636e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748272687267 (5.34177e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638746723847516 (2.33303e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.638744550600101 (3.27358e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638743112142956 (2.16676e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741274188764 (2.76853e-05% change) linmin: converged after 16 iterations. iteration 256: trace = 6.638739467298501 (2.72174e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738349202688 (1.6842e-05% change) linmin: converged after 6 iterations. iteration 258: trace = 6.638737835689367 (7.7351e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 6.638737218899633 (9.29077e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736854734873 (5.48545e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.63873627690166 (8.70396e-06% change) linmin: converged after 16 iterations. iteration 262: trace = 6.638735729089737 (8.25175e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.6387352553989 (7.13526e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 6.638735054672749 (3.02356e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 6.638734869417193 (2.79052e-06% change) linmin: converged after 6 iterations. iteration 266: trace = 6.638734731754969 (2.07362e-06% change) linmin: converged after 16 iterations. iteration 267: trace = 6.638734628724432 (1.55196e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.638734462768283 (2.49982e-06% change) linmin: converged after 16 iterations. iteration 269: trace = 6.638734304607528 (2.38239e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.638734216530693 (1.32671e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 6.638734134679857 (1.23293e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734089154566 (6.85753e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734054364789 (5.24042e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.63873399397008 (9.09732e-07% change) linmin: converged after 7 iterations. iteration 275: trace = 6.638733923635748 (1.05945e-06% change) linmin: converged after 4 iterations. iteration 276: trace = 6.638733868929354 (8.24049e-07% change) linmin: converged after 8 iterations. iteration 277: trace = 6.638733816587413 (7.88433e-07% change) linmin: converged after 7 iterations. iteration 278: trace = 6.638733780054953 (5.50293e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733762993164 (2.57004e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733753319537 (1.45715e-07% change) linmin: converged after 8 iterations. iteration 281: trace = 6.638733739343934 (2.10516e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733714968705 (3.67167e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733697635013 (2.61099e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733679257065 (2.76829e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 6.638733663313102 (2.40166e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733649720824 (2.04742e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642397483 (1.10312e-07% change) large trace change predicted (3.06615e-07%) linmin: converged after 4 iterations. iteration 288: trace = 6.638733622042839 (3.06604e-07% change) linmin: converged after 11 iterations. iteration 289: trace = 6.638733598840012 (3.49507e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 6.638733576526505 (3.36111e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733563837013 (1.91143e-07% change) linmin: converged after 5 iterations. iteration 292: trace = 6.638733549820286 (2.11136e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733541093235 (1.31457e-07% change) linmin: converged after 6 iterations. iteration 294: trace = 6.638733535467152 (8.47463e-08% change) linmin: converged after 3 iterations. iteration 295: trace = 6.638733526098875 (1.41115e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733515386362 (1.61364e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 6.638733504209687 (1.68356e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733499493042 (7.10474e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733493647839 (8.8047e-08% change) linmin: converged after 14 iterations. iteration 300: trace = 6.638733488792827 (7.31316e-08% change) linmin: converged after 22 iterations. iteration 301: trace = 6.638733482768131 (9.07507e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733478266698 (6.78056e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471761608 (9.79869e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733467798773 (5.96926e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466611077 (1.78904e-08% change) linmin: converged after 7 iterations. iteration 306: trace = 6.638733465224359 (2.08883e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463533532 (2.54691e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461458933 (3.12499e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733459683483 (2.67438e-08% change) linmin: converged after 8 iterations. iteration 310: trace = 6.638733459151364 (8.01536e-09% change) linmin: converged after 2 iterations. iteration 311: trace = 6.638733458305864 (1.27359e-08% change) linmin: converged after 8 iterations. iteration 312: trace = 6.638733457933458 (5.6096e-09% change) linmin: converged after 17 iterations. iteration 313: trace = 6.638733457618706 (4.74114e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457246565 (5.6056e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345662853 (9.30954e-09% change) linmin: converged after 27 iterations. iteration 316: trace = 6.638733456168647 (6.92727e-09% change) linmin: converged after 6 iterations. iteration 317: trace = 6.638733456016138 (2.29726e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.63873345592733 (1.33773e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455861431 (9.92635e-10% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455788412 (1.09991e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.63873345572871 (8.99292e-10% change) linmin: converged after 10 iterations. iteration 322: trace = 6.638733455645148 (1.25871e-09% change) linmin: converged after 4 iterations. iteration 323: trace = 6.638733455573155 (1.08444e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455556595 (2.49433e-10% change) linmin: converged after 4 iterations. iteration 325: trace = 6.638733455540329 (2.45018e-10% change) linmin: converged after 2 iterations. iteration 326: trace = 6.638733455526417 (2.09564e-10% change) linmin: converged after 6 iterations. iteration 327: trace = 6.638733455512361 (2.11718e-10% change) linmin: converged after 6 iterations. iteration 328: trace = 6.638733455504184 (1.23178e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455491636 (1.89015e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455483589 (1.21211e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 7.907166242599487 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576636651 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613155506363 (0.0519978% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673763192594 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.61959770366671 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315111654894 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219287554234 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861087446 (0.0290712% change) linmin: converged after 5 iterations. iteration 8: trace = 6.61417947717352 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797582683 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492236553606 (0.00390952% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099997166025 (0.00593107% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612508104554861 (0.00895071% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911604270607 (0.00902119% change) linmin: converged after 4 iterations. iteration 14: trace = 6.611621979155153 (0.00438045% change) linmin: converged after 5 iterations. iteration 15: trace = 6.61152879743824 (0.00140937% change) linmin: converged after 10 iterations. iteration 16: trace = 6.611478379688956 (0.000762576% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401150281 (0.000786189% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799138305 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368452345 (0.000717415% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277861248 (0.00110554% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239585778 (0.000787122% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390189376 (0.000406122% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149760151916 (0.000115412% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418040058 (0.000186686% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117109453347 (0.000307188% change) linmin: converged after 3 iterations. iteration 26: trace = 6.611106886969172 (0.000154626% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350464097 (0.000204754% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832489158 (6.83393e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086831710893 (3.0264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085128689046 (2.57601e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.611082646624049 (3.7544e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563754775 (6.1758e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155520979 (2.13011e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809232332 (2.03641e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193893146 (9.3077e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 6.611074698949416 (7.48658e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407602309 (4.40696e-06% change) large trace change predicted (9.33395e-06%) linmin: converged after 7 iterations. iteration 38: trace = 6.611073790566093 (9.33337e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203340129 (8.88246e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052510149 (2.28147e-06% change) linmin: converged after 23 iterations. iteration 41: trace = 6.611072941966639 (1.6721e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997261 (1.22475e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.611072808574963 (7.92947e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.611072776016216 (4.92488e-07% change) linmin: converged after 11 iterations. iteration 45: trace = 6.611072738164962 (5.72543e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 6.611072698871501 (5.94358e-07% change) linmin: converged after 11 iterations. iteration 47: trace = 6.611072683715105 (2.29258e-07% change) linmin: converged after 12 iterations. iteration 48: trace = 6.611072672234465 (1.73658e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758118 (1.43341e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.611072656974429 (8.74849e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 6.611072652150455 (7.29681e-08% change) linmin: converged after 11 iterations. iteration 52: trace = 6.6110726464698 (8.59264e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.611072641173973 (8.01054e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640190232 (1.48802e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602208 (8.89454e-09% change) linmin: converged after 18 iterations. iteration 56: trace = 6.611072639215561 (5.84848e-09% change) linmin: converged after 19 iterations. iteration 57: trace = 6.611072638759536 (6.89789e-09% change) linmin: converged after 9 iterations. iteration 58: trace = 6.611072638475058 (4.30306e-09% change) linmin: converged after 24 iterations. iteration 59: trace = 6.611072638036691 (6.6308e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637785712 (3.79634e-09% change) linmin: converged after 23 iterations. iteration 61: trace = 6.611072637654464 (1.98527e-09% change) linmin: converged after 8 iterations. iteration 62: trace = 6.611072637585958 (1.03623e-09% change) linmin: converged after 10 iterations. iteration 63: trace = 6.611072637534597 (7.76902e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.611072637495156 (5.96582e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473903 (3.21479e-10% change) large trace change predicted (1.05746e-09%) linmin: converged after 7 iterations. iteration 66: trace = 6.611072637403989 (1.05753e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.611072637378327 (3.88169e-10% change) linmin: converged after 10 iterations. iteration 68: trace = 6.611072637366791 (1.7449e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 1.1487386226654053 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548452574453 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68934246550691 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588109188 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417949922 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578974781489 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730955622 (0.0423443% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515953921 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549249849368 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357073705703 (0.0328591% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273193324 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878740369 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347570774 (0.00728185% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395724869 (0.0240444% change) linmin: converged after 3 iterations. iteration 14: trace = 6.664868522369391 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786838425 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117050775 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208995669 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367837145 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138456993 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849172216 (0.00524275% change) linmin: converged after 4 iterations. iteration 21: trace = 6.6619742098717 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520712338 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720848783 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436788111 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968882906 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357507079 (0.000864867% change) linmin: converged after 6 iterations. iteration 27: trace = 6.661214838038512 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759357232 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661270185 (0.000677033% change) linmin: converged after 13 iterations. iteration 30: trace = 6.661070300428092 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058307974867 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292604195 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283391409 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969908079 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272792445 (0.000190619% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057700925 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846350101 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536537528 (6.47025e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.660965329883129 (7.81666e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.660960399141092 (7.40245e-05% change) linmin: converged after 9 iterations. iteration 41: trace = 6.660955690692173 (7.06873e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410711075 (6.42548e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.660948058569119 (5.03253e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 6.660947085941372 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097034071 (2.98592e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821783676 (1.91452e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.660942440495745 (2.07371e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.660941469353187 (1.45797e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204101015 (1.89951e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 6.660939460724643 (1.11602e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.66093894801723 (7.69722e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435135448 (7.69984e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003142447 (6.48547e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.66093769090408 (4.6876e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.66093725847799 (6.49197e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080980935 (2.66475e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 6.660937039755714 (6.1891e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992661449 (7.07022e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.660936943514294 (7.37841e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.660936890542162 (7.95265e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 6.660936833462838 (8.56926e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.660936777950853 (8.33396e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765941797 (1.80291e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755015155 (1.64041e-07% change) linmin: converged after 6 iterations. iteration 65: trace = 6.660936746504003 (1.27777e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740708101 (8.70133e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737168779 (5.31355e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929 (9.36772e-08% change) linmin: converged after 9 iterations. iteration 69: trace = 6.660936726671792 (6.39131e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.660936725038566 (2.45195e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723757438 (1.92334e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.660936722379987 (2.06795e-08% change) linmin: converged after 33 iterations. iteration 73: trace = 6.66093672137998 (1.5013e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720551226 (1.2442e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719202968 (2.02413e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718301423 (1.35348e-08% change) linmin: converged after 18 iterations. iteration 77: trace = 6.660936717516629 (1.1782e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716875789 (9.62086e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.660936716382007 (7.4131e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716199179 (2.74479e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.660936715851733 (5.21617e-09% change) linmin: converged after 22 iterations. iteration 82: trace = 6.660936715504791 (5.20861e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305027 (2.99903e-09% change) linmin: converged after 27 iterations. iteration 84: trace = 6.66093671508835 (3.25296e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937364 (2.26674e-09% change) linmin: converged after 9 iterations. iteration 86: trace = 6.660936714833896 (1.55336e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 6.660936714747509 (1.29692e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.660936714695935 (7.74273e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617487 (1.17772e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.66093671457714 (6.0573e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542649 (5.17818e-10% change) linmin: converged after 19 iterations. iteration 92: trace = 6.66093671452329 (2.90631e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 6.660936714512652 (1.59703e-10% change) linmin: converged after 23 iterations. iteration 94: trace = 6.660936714494253 (2.7623e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.660936714476417 (2.67763e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714462952 (2.02146e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455913 (1.05686e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.660936714447594 (1.24888e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 2.0419912338256836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693365824004 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.81491531333085 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492943791591 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487715310334 (0.0735956% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793362049054725 (0.0754226% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739546110888 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782649098280649 (0.0455536% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775937084960444 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502319495193 (0.124559% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226777760307 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059804096025 (0.0912255% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376539552863 (0.0841439% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749201093205061 (0.0322275% change) large trace change predicted (0.0987653%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591395271164 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640520736622 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712722144593 (0.0434445% change) linmin: converged after 4 iterations. iteration 17: trace = 6.73452098326382 (0.0473825% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582978654195 (0.0287813% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242279218445 (0.0496322% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109380356157 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644100330462 (0.0217809% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872586664417 (0.0114702% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359747865309 (0.00762516% change) linmin: converged after 21 iterations. iteration 24: trace = 6.724756270469366 (0.00897356% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231366871892 (0.00780585% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530396492713 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053589910712 (0.00709186% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658831569981 (0.00587188% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318025801377 (0.00506964% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110957479178 (0.00308036% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805734272037 (0.00454069% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654561005488 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517311503868 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358449047066 (0.00236352% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272068097353 (0.00128518% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179708634331 (0.00137415% change) linmin: converged after 6 iterations. iteration 37: trace = 6.721123311312419 (0.000839102% change) linmin: converged after 5 iterations. iteration 38: trace = 6.721064014980577 (0.000882242% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970932018229 (0.00138495% change) linmin: converged after 6 iterations. iteration 40: trace = 6.720931124316433 (0.000592293% change) large trace change predicted (0.00161295%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822629671658 (0.00161429% change) linmin: converged after 4 iterations. iteration 42: trace = 6.72079846265409 (0.000359585% change) large trace change predicted (0.00072696%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749736141956 (0.000725013% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072260233406 (0.000403733% change) linmin: converged after 9 iterations. iteration 45: trace = 6.72070519794796 (0.000258966% change) large trace change predicted (0.000642169%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662129158626 (0.000640839% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647159202968 (0.000222745% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620434442544 (0.000397652% change) linmin: converged after 4 iterations. iteration 49: trace = 6.720599312394453 (0.000314288% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588138740021 (0.00016626% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572437757358 (0.000233625% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502977415 (0.000177586% change) linmin: converged after 5 iterations. iteration 53: trace = 6.720550779021665 (0.00014469% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201605287 (0.000130391% change) linmin: converged after 5 iterations. iteration 55: trace = 6.720538072124155 (5.86847e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533815636847 (6.33355e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531117060512 (4.01542e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587293265 (5.25222e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523743289104 (5.7198e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452342011 (4.89686e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515636146466 (7.16641e-05% change) linmin: converged after 11 iterations. iteration 62: trace = 6.720513695801111 (2.8872e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.720511339817818 (3.50566e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233758202 (1.6458e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.7205095257317 (1.05353e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403500634 (1.66986e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.720507795705634 (9.04388e-06% change) large trace change predicted (2.55121e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081209342 (2.55114e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505166233876 (1.36147e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632564524 (7.94091e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.720503757921638 (1.30145e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155132286 (8.96941e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502825006813 (4.91221e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267138848 (8.30099e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.72050161821459 (9.65589e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.720501329636397 (4.294e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.720500923073919 (6.04959e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.7205004497822 (7.04251e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500091190194 (5.33579e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710770521 (5.66059e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.720499408715081 (4.49454e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351491902 (8.51472e-07% change) linmin: converged after 7 iterations. iteration 83: trace = 6.720499245520994 (1.57683e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132663288 (1.67931e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 6.720498947976651 (2.74811e-06% change) linmin: converged after 8 iterations. iteration 86: trace = 6.720498868915341 (1.17642e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498762222831 (1.58757e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498674231538 (1.3093e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.720498653875839 (3.0289e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625620474 (4.20436e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602840975 (3.38955e-07% change) linmin: converged after 18 iterations. iteration 92: trace = 6.720498591264342 (1.72259e-07% change) large trace change predicted (4.49888e-07%) linmin: converged after 4 iterations. iteration 93: trace = 6.720498561030472 (4.49875e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532165731 (4.29503e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.720498516270226 (2.36523e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508965846 (1.08688e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076913 (1.47146e-07% change) linmin: converged after 19 iterations. iteration 98: trace = 6.720498492691434 (9.5015e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.720498490784987 (2.83676e-08% change) large trace change predicted (6.5941e-08%) linmin: converged after 10 iterations. iteration 100: trace = 6.720498486353334 (6.59423e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482665715 (5.48712e-08% change) linmin: converged after 12 iterations. iteration 102: trace = 6.720498480517313 (3.19679e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478115991 (3.57313e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474287696 (5.69645e-08% change) linmin: converged after 29 iterations. iteration 105: trace = 6.720498473541149 (1.11085e-08% change) large trace change predicted (2.47838e-08%) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471875564 (2.47837e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498471055208 (1.22068e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470350883 (1.04803e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469397505 (1.41861e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.720498468545252 (1.26814e-08% change) linmin: converged after 31 iterations. iteration 111: trace = 6.720498468272286 (4.0617e-09% change) large trace change predicted (9.26929e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467649367 (9.26893e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.720498466966988 (1.01537e-08% change) linmin: converged after 10 iterations. iteration 114: trace = 6.720498466587099 (5.65269e-09% change) linmin: converged after 8 iterations. iteration 115: trace = 6.720498466423583 (2.4331e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.72049846625117 (2.56547e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466094205 (2.33562e-09% change) linmin: converged after 30 iterations. iteration 118: trace = 6.720498466028793 (9.73316e-10% change) large trace change predicted (2.31059e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873534 (2.31024e-09% change) linmin: converged after 10 iterations. iteration 120: trace = 6.720498465800697 (1.0838e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465753364 (7.04305e-10% change) linmin: converged after 18 iterations. iteration 122: trace = 6.720498465699117 (8.07191e-10% change) linmin: converged after 6 iterations. iteration 123: trace = 6.720498465620707 (1.16672e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465592529 (4.1929e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.72049846557295 (2.91333e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558395 (2.16583e-10% change) linmin: converged after 12 iterations. iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 2.0548741817474365 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955352031835 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471645847239 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412309853988 (0.296016% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821497824874 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.75155062614866 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349182879033 (0.0918943% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351558095389 (0.0592825% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815057785499 (0.0524736% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500260020686 (0.0195156% change) large trace change predicted (0.0500717%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113218000609 (0.0502916% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523332423912 (0.0236157% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172145607876 (0.0349341% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626433151624 (0.0378381% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266955478946 (0.0202124% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631950808276 (0.0391883% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297259955682 (0.0198557% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867059258 (0.0371811% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806207398143 (0.0147725% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974623076929 (0.0123796% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637301711614 (0.0089569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154275586822 (0.00325689% change) large trace change predicted (0.0101656%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471626096691 (0.0101648% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518347118853 (0.004291% change) large trace change predicted (0.0113969%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417828794597 (0.0114023% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023678705928 (0.00587038% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806562251935 (0.00323383% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579668693027 (0.00337956% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511728607021 (0.00101199% change) large trace change predicted (0.0020878%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371328352466 (0.00209133% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315046237599 (0.000838362% change) large trace change predicted (0.00185104%) linmin: converged after 4 iterations. iteration 31: trace = 6.713190941339971 (0.00184866% change) linmin: converged after 3 iterations. iteration 32: trace = 6.713118652377476 (0.00107683% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048703061627 (0.00104198% change) linmin: converged after 5 iterations. iteration 34: trace = 6.712960185520178 (0.0013186% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421020381 (0.00030932% change) large trace change predicted (0.000713841%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891502026764 (0.000713833% change) linmin: converged after 4 iterations. iteration 37: trace = 6.71288379616655 (0.000114792% change) large trace change predicted (0.000489822%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850923731485 (0.000489693% change) linmin: converged after 6 iterations. iteration 39: trace = 6.712831944322497 (0.000282733% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122549863 (0.000191004% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799137569486 (0.000297714% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544864233 (6.84172e-05% change) large trace change predicted (0.000162524%) linmin: converged after 5 iterations. iteration 43: trace = 6.712783638493903 (0.000162472% change) linmin: converged after 11 iterations. iteration 44: trace = 6.712781295169769 (3.49084e-05% change) large trace change predicted (8.74419e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425436074 (8.74412e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 6.712773786932622 (2.44087e-05% change) large trace change predicted (5.15217e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326994617 (5.15426e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502420244 (4.20776e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 6.712766705641736 (1.18696e-05% change) large trace change predicted (4.49226e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689647757 (4.49292e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102132034 (8.75222e-06% change) large trace change predicted (2.71658e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.71276127854624 (2.7166e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760419286989 (1.28004e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 6.712759718356282 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902216277 (1.03712e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.71275884752382 (2.6016e-06% change) large trace change predicted (8.44755e-06%) linmin: converged after 4 iterations. iteration 57: trace = 6.712758280566021 (8.44597e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165037714 (1.72103e-06% change) large trace change predicted (5.84499e-06%) linmin: converged after 6 iterations. iteration 59: trace = 6.712757772742973 (5.84402e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572256018 (2.98666e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429161202 (2.13168e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251596218 (2.64519e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218513527 (4.92833e-07% change) large trace change predicted (1.75918e-06%) linmin: converged after 4 iterations. iteration 64: trace = 6.712757100419477 (1.75925e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077191751 (3.46024e-07% change) large trace change predicted (7.74689e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025187551 (7.74707e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 6.712756982435169 (6.36883e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959206528 (3.46037e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756912967455 (6.88824e-07% change) resetting CG direction... linmin: converged after 24 iterations. iteration 70: trace = 6.712756900835401 (1.80731e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.712756887602744 (1.97127e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883382651 (6.28668e-08% change) large trace change predicted (1.50453e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.712756873283277 (1.5045e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865378772 (1.17753e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859672806 (8.50018e-08% change) large trace change predicted (2.04409e-07%) linmin: converged after 6 iterations. iteration 76: trace = 6.712756845951316 (2.04409e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.712756843609621 (3.48842e-08% change) large trace change predicted (1.27223e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.71275683506934 (1.27225e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.712756830475133 (6.84399e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 6.712756828633527 (2.74344e-08% change) large trace change predicted (5.49577e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.712756824944322 (5.49581e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821598436 (4.98437e-08% change) linmin: converged after 17 iterations. iteration 83: trace = 6.712756819482644 (3.1519e-08% change) linmin: converged after 10 iterations. iteration 84: trace = 6.712756817407787 (3.09092e-08% change) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816739338 (9.95788e-09% change) large trace change predicted (2.35922e-08%) linmin: converged after 3 iterations. iteration 86: trace = 6.712756815155657 (2.35921e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814927111 (3.40465e-09% change) large trace change predicted (1.14616e-08%) linmin: converged after 18 iterations. iteration 88: trace = 6.712756814157732 (1.14614e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 6.712756813635045 (7.78647e-09% change) linmin: converged after 14 iterations. iteration 90: trace = 6.71275681341351 (3.30022e-09% change) large trace change predicted (7.75074e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.712756812893209 (7.75092e-09% change) linmin: converged after 9 iterations. iteration 92: trace = 6.712756812760745 (1.97333e-09% change) large trace change predicted (5.88918e-09%) linmin: converged after 13 iterations. iteration 93: trace = 6.712756812365424 (5.8891e-09% change) linmin: converged after 3 iterations. iteration 94: trace = 6.712756812003807 (5.387e-09% change) linmin: converged after 7 iterations. iteration 95: trace = 6.712756811899509 (1.55373e-09% change) large trace change predicted (3.84346e-09%) linmin: converged after 11 iterations. iteration 96: trace = 6.712756811641516 (3.84332e-09% change) linmin: converged after 2 iterations. iteration 97: trace = 6.712756811536827 (1.55956e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811500308 (5.44014e-10% change) large trace change predicted (1.79942e-09%) linmin: converged after 7 iterations. iteration 99: trace = 6.712756811379516 (1.79944e-09% change) linmin: converged after 2 iterations. iteration 100: trace = 6.712756811259492 (1.788e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.712756811223127 (5.41738e-10% change) linmin: converged after 10 iterations. iteration 102: trace = 6.712756811167312 (8.31475e-10% change) linmin: converged after 7 iterations. iteration 103: trace = 6.712756811117374 (7.43924e-10% change) linmin: converged after 2 iterations. iteration 104: trace = 6.712756811108303 (1.3513e-10% change) large trace change predicted (4.49877e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811078102 (4.49901e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070889 (1.07451e-10% change) large trace change predicted (2.43029e-10%) linmin: converged after 19 iterations. iteration 107: trace = 6.712756811054567 (2.4315e-10% change) linmin: converged after 9 iterations. iteration 108: trace = 6.71275681103773 (2.50824e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 6.712756811022556 (2.26042e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 1.9677011966705322 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447595323905 (0.075091% change) large trace change predicted (0.247841%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509709560569 (0.249234% change) linmin: converged after 12 iterations. iteration 3: trace = 6.78416600758117 (0.0492747% change) large trace change predicted (0.154108%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847328685956 (0.152215% change) linmin: converged after 4 iterations. iteration 5: trace = 6.77251991858013 (0.019598% change) large trace change predicted (0.0906904%) linmin: converged after 4 iterations. iteration 6: trace = 6.7662211737164 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489412066492 (0.0108155% change) large trace change predicted (0.0789839%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960406114532 (0.0817571% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759700044533112 (0.0038516% change) large trace change predicted (0.0309309%) linmin: converged after 3 iterations. iteration 10: trace = 6.757604007969362 (0.0310126% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369187106947 (0.00347497% change) large trace change predicted (0.0247096%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700380516066 (0.0246991% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504919641139 (0.00289332% change) large trace change predicted (0.012852%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652206748955 (0.0126233% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115945082325 (0.00793946% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542779465762 (0.00848653% change) large trace change predicted (0.0199723%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183335844688 (0.0201314% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084991574542 (0.00145649% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015956392777 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877686058918 (0.00204816% change) large trace change predicted (0.0154243%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833216418178 (0.0154728% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728282010169 (0.00155463% change) large trace change predicted (0.0115024%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952036441013 (0.0115011% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764551424209 (0.00277803% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017419485 (0.00427545% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262776589692 (0.00315989% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165146398375 (0.00144676% change) large trace change predicted (0.00385788%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822884305 (0.00384295% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612381974 (0.000877469% change) large trace change predicted (0.00317745%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632836969705 (0.0031681% change) linmin: converged after 4 iterations. iteration 31: trace = 6.747606394525548 (0.000391878% change) large trace change predicted (0.00306597%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399953171819 (0.00305952% change) linmin: converged after 4 iterations. iteration 33: trace = 6.747387722078511 (0.000181271% change) large trace change predicted (0.00242336%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225018833506 (0.00241138% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960227815 (0.000460318% change) large trace change predicted (0.00107856%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121438334209 (0.00107485% change) linmin: converged after 3 iterations. iteration 37: trace = 6.7470997718898 (0.000321122% change) large trace change predicted (0.000751257%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049150715911 (0.000750268% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008136779598 (0.000607881% change) linmin: converged after 4 iterations. iteration 40: trace = 6.746998870293799 (0.000137342% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262489844 (0.000631509% change) linmin: converged after 6 iterations. iteration 42: trace = 6.746953504893698 (4.08717e-05% change) large trace change predicted (0.000481256%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047716273 (0.000481065% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917366333847 (5.45639e-05% change) large trace change predicted (0.0002699%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899160425827 (0.000269841% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895008381835 (6.15401e-05% change) large trace change predicted (0.00019307%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974266559 (0.000193187% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481438184 (0.000111056% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868146557246 (9.38936e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 6.746857504420103 (0.000157735% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855516675071 (2.94618e-05% change) large trace change predicted (0.000214718%) linmin: converged after 6 iterations. iteration 52: trace = 6.746841037554336 (0.000214606% change) linmin: converged after 4 iterations. iteration 53: trace = 6.746840193062241 (1.25169e-05% change) large trace change predicted (9.3173e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909627384 (9.31316e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185015451 (1.074e-05% change) large trace change predicted (5.96415e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162576902 (5.96197e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.746828725834517 (6.4733e-06% change) large trace change predicted (2.46714e-05%) linmin: converged after 5 iterations. iteration 58: trace = 6.74682706211512 (2.46593e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.746825889499674 (1.73803e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452545512 (6.47644e-06% change) large trace change predicted (2.95798e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456681524 (2.95823e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 6.746823127211622 (4.88333e-06% change) large trace change predicted (2.68474e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.746821315951441 (2.68461e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.74682118432021 (1.95101e-06% change) large trace change predicted (1.52566e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154908292 (1.52577e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.746820081622887 (1.08622e-06% change) large trace change predicted (7.08718e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603431781 (7.08765e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452732547 (2.23363e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 6.74681925723311 (2.89765e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149107638 (1.60261e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008753461 (2.0803e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910253522 (1.45995e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745187227 (2.44658e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.746818616830524 (1.90248e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399211371 (3.22551e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.74681828538086 (1.68717e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818109865201 (2.60146e-06% change) linmin: converged after 20 iterations. iteration 78: trace = 6.746818071152347 (5.73794e-07% change) large trace change predicted (1.5422e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105337 (1.54216e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.746817914381793 (7.81458e-07% change) linmin: converged after 9 iterations. iteration 81: trace = 6.746817907083527 (1.08173e-07% change) large trace change predicted (1.24553e-06%) linmin: converged after 2 iterations. iteration 82: trace = 6.74681782304615 (1.24559e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 6.74681781661431 (9.53314e-08% change) large trace change predicted (1.0668e-06%) linmin: converged after 8 iterations. iteration 84: trace = 6.746817744641013 (1.06677e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736393177 (1.22248e-07% change) large trace change predicted (5.15241e-07%) linmin: converged after 3 iterations. iteration 86: trace = 6.746817701631278 (5.15234e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 6.746817697536646 (6.06898e-08% change) large trace change predicted (2.33444e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681786828 (2.33441e-07% change) linmin: converged after 5 iterations. iteration 89: trace = 6.746817679575117 (3.27815e-08% change) large trace change predicted (2.03086e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817665873402 (2.03084e-07% change) linmin: converged after 21 iterations. iteration 91: trace = 6.746817664988518 (1.31156e-08% change) large trace change predicted (1.38685e-07%) linmin: converged after 7 iterations. iteration 92: trace = 6.746817655631772 (1.38684e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.746817654085186 (2.29232e-08% change) large trace change predicted (1.18599e-07%) linmin: converged after 8 iterations. iteration 94: trace = 6.746817646083493 (1.186e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.746817640462645 (8.33111e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637625213 (4.20559e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.74681763331078 (6.39477e-08% change) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629968001 (4.9546e-08% change) linmin: converged after 11 iterations. iteration 99: trace = 6.7468176261558 (5.65037e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.746817625992414 (2.42167e-09% change) large trace change predicted (2.59342e-08%) linmin: converged after 11 iterations. iteration 101: trace = 6.746817624242672 (2.59343e-08% change) linmin: converged after 20 iterations. iteration 102: trace = 6.746817624100168 (2.11216e-09% change) large trace change predicted (1.59034e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623027193 (1.59034e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.74681762290797 (1.7671e-09% change) large trace change predicted (1.6433e-08%) linmin: converged after 19 iterations. iteration 105: trace = 6.746817621799271 (1.64329e-08% change) linmin: converged after 33 iterations. iteration 106: trace = 6.74681762171291 (1.28003e-09% change) large trace change predicted (1.75521e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620528712 (1.75519e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.74681762045374 (1.11122e-09% change) large trace change predicted (1.18806e-08%) linmin: converged after 22 iterations. iteration 109: trace = 6.746817619652177 (1.18806e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.746817619405686 (3.65344e-09% change) linmin: converged after 3 iterations. iteration 111: trace = 6.746817619222378 (2.71695e-09% change) linmin: converged after 22 iterations. iteration 112: trace = 6.746817619074591 (2.19048e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.746817619026851 (7.07587e-10% change) large trace change predicted (3.27373e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618805972 (3.27383e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618788889 (2.53204e-10% change) large trace change predicted (2.65445e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618609805 (2.65434e-09% change) linmin: converged after 18 iterations. iteration 117: trace = 6.746817618591581 (2.7012e-10% change) large trace change predicted (1.0326e-09%) linmin: converged after 12 iterations. iteration 118: trace = 6.746817618521913 (1.0326e-09% change) linmin: converged after 10 iterations. iteration 119: trace = 6.746817618511382 (1.5609e-10% change) large trace change predicted (1.35052e-09%) linmin: converged after 2 iterations. iteration 120: trace = 6.746817618420272 (1.3504e-09% change) linmin: converged after 18 iterations. iteration 121: trace = 6.746817618406766 (2.00191e-10% change) large trace change predicted (1.7203e-09%) linmin: converged after 10 iterations. iteration 122: trace = 6.746817618290709 (1.72017e-09% change) linmin: converged after 11 iterations. iteration 123: trace = 6.746817618281478 (1.36831e-10% change) large trace change predicted (1.19037e-09%) linmin: converged after 4 iterations. iteration 124: trace = 6.74681761820117 (1.1903e-09% change) linmin: converged after 16 iterations. iteration 125: trace = 6.746817618186881 (2.11789e-10% change) linmin: converged after 15 iterations. iteration 126: trace = 6.74681761816829 (2.75557e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.746817618151576 (2.47728e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140278 (1.67464e-10% change) linmin: converged after 13 iterations. iteration 129: trace = 6.746817618132886 (1.09554e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.746817618121986 (1.61567e-10% change) linmin: converged after 2 iterations. iteration 131: trace = 6.746817618106294 (2.32576e-10% change) linmin: converged after 5 iterations. iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 2.7215631008148193 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814500596418 (0.213094% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656408360107 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258247585227 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682475678196 (0.109786% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477598605052 (0.0464806% change) linmin: converged after 4 iterations. iteration 6: trace = 6.89027467957257 (0.0464738% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461836997099 (0.0408317% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497275426465 (0.0721071% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290874293486 (0.0465986% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875156897538091 (0.0601111% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798201194945 (0.0343134% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870794994806168 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395881036607 (0.0349237% change) linmin: converged after 4 iterations. iteration 14: trace = 6.86621439556751 (0.0317663% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840060452693 (0.0200179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049033521961 (0.0115235% change) large trace change predicted (0.0249855%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313276187908 (0.0252909% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715224253143 (0.0232901% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968809484593 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391947998565 (0.00840945% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827502382783 (0.00822914% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164410591376 (0.00966818% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406145261944 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832784686063 (0.00836154% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491556212852 (0.0049766% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252194382823 (0.00349109% change) linmin: converged after 4 iterations. iteration 27: trace = 6.856048890634965 (0.00296528% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800374166336 (0.00362484% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651394979553 (0.00217306% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512431528354 (0.00202701% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355716860478 (0.00228599% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230958647358 (0.00181988% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155357961117 (0.00110282% change) linmin: converged after 3 iterations. iteration 34: trace = 6.855094916541149 (0.000881697% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502521717437 (0.00101676% change) linmin: converged after 7 iterations. iteration 36: trace = 6.854917688010056 (0.00156863% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865488480574 (0.000761493% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810981191307 (0.000795165% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754429052387 (0.000825003% change) linmin: converged after 3 iterations. iteration 40: trace = 6.854698860222133 (0.000810664% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636654728656 (0.000907491% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585360152608 (0.000748322% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557541681724 (0.000405838% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534987637432 (0.000329038% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507849304162 (0.000395919% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474000119207 (0.000493825% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448910897645 (0.000366028% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430742783726 (0.000265056% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409551795755 (0.000309158% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819143956 (0.000331651% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372356342974 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722046957 (0.000125968% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940080093 (0.000113533% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218303488 (0.000112655% change) linmin: converged after 3 iterations. iteration 55: trace = 6.85434181489553 (9.34212e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867231474 (7.21829e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981170005 (5.66949e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856284635 (6.01793e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.854325493270705 (4.90641e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731041433 (6.94777e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900614725 (4.12941e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.854316466541417 (2.09222e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812325643 (2.41339e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.854312707976328 (3.07011e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570267851 (3.11878e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275647925 (1.88877e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864026026 (2.05947e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.854306225836385 (2.39001e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757597444 (2.14207e-05% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.85430429181651 (6.79545e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980839092 (4.53697e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707007329 (3.99503e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.854303306237795 (5.84698e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028457227 (4.05264e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857018638 (2.50118e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716414224 (2.05133e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589324328 (1.85416e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.854302422020374 (2.44086e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178650507 (3.55061e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043160593 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959862691 (1.21526e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.854301838190406 (1.77512e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701143552 (1.99943e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.854301574127346 (1.85309e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492731233 (1.18752e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369172781 (1.80264e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206108594 (2.37901e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.854301115047358 (1.32853e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.854301061403404 (7.82632e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.854301010580798 (7.4147e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.854300954169966 (8.22999e-07% change) linmin: converged after 7 iterations. iteration 92: trace = 6.854300910079177 (6.43257e-07% change) linmin: converged after 16 iterations. iteration 93: trace = 6.854300884305875 (3.76016e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282439 (1.60825e-07% change) linmin: converged after 19 iterations. iteration 95: trace = 6.85430086333042 (1.45194e-07% change) linmin: converged after 8 iterations. iteration 96: trace = 6.854300852297724 (1.6096e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845288805 (1.02256e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 6.854300839717113 (8.12875e-08% change) linmin: converged after 2 iterations. iteration 99: trace = 6.85430083316451 (9.55984e-08% change) linmin: converged after 25 iterations. iteration 100: trace = 6.854300825010949 (1.18955e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821499368 (5.12318e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819427277 (3.02305e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.854300816199123 (4.70968e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810980634 (7.61345e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805509967 (7.98136e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800803374 (6.86663e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854300798635795 (3.16236e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.854300795765834 (4.1871e-08% change) large trace change predicted (8.5378e-08%) linmin: converged after 2 iterations. iteration 109: trace = 6.854300789913748 (8.53783e-08% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854300784491166 (7.91121e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782610951 (2.74312e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300781013686 (2.33031e-08% change) linmin: converged after 5 iterations. iteration 113: trace = 6.854300777960276 (4.45474e-08% change) linmin: converged after 11 iterations. iteration 114: trace = 6.854300776068537 (2.75993e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 6.85430077514526 (1.347e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773914987 (1.79489e-08% change) linmin: converged after 17 iterations. iteration 117: trace = 6.854300773064537 (1.24075e-08% change) linmin: converged after 14 iterations. iteration 118: trace = 6.854300772502087 (8.2058e-09% change) linmin: converged after 21 iterations. iteration 119: trace = 6.854300772109052 (5.73414e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771873268 (3.43994e-09% change) linmin: converged after 3 iterations. iteration 121: trace = 6.854300771710194 (2.37915e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.854300771427565 (4.12338e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771301659 (1.83688e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230674 (1.03563e-09% change) linmin: converged after 10 iterations. iteration 125: trace = 6.854300771170164 (8.82801e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771103524 (9.72237e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.854300771047175 (8.22106e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013627 (4.89449e-10% change) linmin: converged after 5 iterations. iteration 129: trace = 6.85430077098893 (3.60309e-10% change) linmin: converged after 7 iterations. iteration 130: trace = 6.854300770974116 (2.16126e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966613 (1.09456e-10% change) linmin: converged after 2 iterations. iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.8286845684051514 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% total elapsed time for run: 60.49006104469299 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meep4PaIBY/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meep4PaIBY/test_run_te_with_mu_material-0: 60.53s /tmp/meep4PaIBY/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013344287872314453 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.7050259113311768 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.3839762210845947 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.2142171859741211 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.21103310585021973 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.1559767723083496 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.16393113136291504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.11330676078796387 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.09544610977172852 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.11458659172058105 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.172898530960083 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.1530928611755371 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.17172551155090332 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.16755270957946777 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.14792704582214355 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.1904587745666504 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.7916014194488525 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 3.9553239345550537 done /tmp/meep4PaIBY/test_run_tm-0: 3.96s /tmp/meep4PaIBY/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013530254364013672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6549663543701172 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.5078425407409668 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.3121676445007324 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.30930209159851074 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.39445924758911133 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5002956390380859 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3983745574951172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.37276148796081543 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3353445529937744 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.23999333381652832 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19626235961914062 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14475560188293457 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.20308756828308105 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2566709518432617 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.3328077793121338 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9770309925079346 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 7.138721942901611 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013756752014160156 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.47193408012390137 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.6117491722106934 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.3145890235900879 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.29113173484802246 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.38458824157714844 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5298933982849121 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.30031371116638184 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2949342727661133 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.21308326721191406 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.2379744052886963 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2510848045349121 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.17196321487426758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1257188320159912 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2371213436126709 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2858150005340576 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6729745864868164 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 6.39805793762207 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009453773498535156 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5918138027191162 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.5219154357910156 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20685529708862305 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.182542085647583 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21558856964111328 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.48551344871520996 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.44524550437927246 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.19068288803100586 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.189683198928833 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1608443260192871 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17374229431152344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13063549995422363 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.14234042167663574 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2102367877960205 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.23945164680480957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6967039108276367 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 5.794525623321533 done /tmp/meep4PaIBY/test_set_eigenvectors-0: 19.33s /tmp/meep4PaIBY/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.013467073440551758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690049 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638005 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994756 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.79224276091566 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742786 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719285 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801679 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863864 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950197 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281849 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828852 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451506 (0.00632352% change) linmin: converged after 5 iterations. iteration 14: trace = 5.629707527279325 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611416 (0.00283113% change) linmin: converged after 6 iterations. iteration 17: trace = 5.629195179750856 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143354889 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210328871 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227218207 (0.00106561% change) linmin: converged after 11 iterations. iteration 21: trace = 5.628918234635336 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.628892160266109 (0.000463223% change) linmin: converged after 4 iterations. iteration 23: trace = 5.628877918707712 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.62887054067606 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545895 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361903 (2.80196e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 5.628864428335529 (9.1675e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 5.62886425401095 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206571 (9.73631e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 5.628864180871537 (3.25732e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.628864174355813 (1.15756e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803267 (4.53475e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678066 (1.99898e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 5.628864170196785 (8.55023e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964668 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778796 (3.30212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.628864169602519 (3.13167e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62886416940592 (3.4927e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.628864169253106 (2.71482e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.628864169153889 (1.76264e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628864169097572 (1.00051e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061677 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036878 (4.40565e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022913 (2.48093e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 5.628864169016424 (1.15281e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.45678234100341797 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 5.662598383811167 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240403 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918011 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656699427 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959613 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354926 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221756 (0.00509164% change) linmin: converged after 3 iterations. iteration 8: trace = 5.650503338619175 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589035 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815968 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400668589 (4.25663e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822550923 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570379916 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721299 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358622 (7.49734e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.650359402314912 (2.83941e-07% change) linmin: converged after 38 iterations. iteration 19: trace = 5.650359397610181 (8.32643e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697382 (3.38527e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584283 (1.96996e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286076 (2.29757e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.650359391538196 (3.09339e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.650359389901621 (2.89641e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.650359388475083 (2.52469e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 5.650359386379993 (3.70789e-08% change) large trace change predicted (9.58039e-08%) linmin: converged after 5 iterations. iteration 27: trace = 5.650359380966579 (9.58065e-08% change) near maximum in trace linmin: converged after 15 iterations. iteration 28: trace = 5.650291267622267 (0.00120548% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291192580686 (1.3281e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029111828439 (1.31491e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291044755035 (1.30134e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.650290972006891 (1.28751e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290900047981 (1.27354e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.650290828881055 (1.25953e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.650290758504497 (1.24554e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.650290688913006 (1.23164e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.650290620098408 (1.21789e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.650290552050093 (1.20433e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 5.650290484755575 (1.19099e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290418200888 (1.1779e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.650290352370963 (1.16507e-06% change) linmin: converged after 9 iterations. iteration 42: trace = 5.650290287249877 (1.15253e-06% change) linmin: converged after 13 iterations. iteration 43: trace = 5.650290222821092 (1.14027e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 5.650290159067736 (1.12832e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290095972685 (1.11667e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290033518802 (1.10532e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.650289971688902 (1.09428e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289910466009 (1.08354e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289849833287 (1.07309e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.650289789774213 (1.06294e-06% change) linmin: converged after 13 iterations. iteration 51: trace = 5.650289730272561 (1.05307e-06% change) linmin: converged after 8 iterations. iteration 52: trace = 5.650289671296088 (1.04378e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 5.650289612861914 (1.03418e-06% change) linmin: converged after 8 iterations. iteration 54: trace = 5.650289554938581 (1.02514e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.650289497495159 (1.01665e-06% change) linmin: converged after 13 iterations. iteration 56: trace = 5.650289440549649 (1.00783e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.650289384071982 (9.99554e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 5.650289328048608 (9.91513e-07% change) linmin: converged after 11 iterations. iteration 59: trace = 5.650289272466417 (9.83705e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289217312721 (9.76122e-07% change) linmin: converged after 8 iterations. iteration 61: trace = 5.65028916256365 (9.68961e-07% change) linmin: converged after 13 iterations. iteration 62: trace = 5.650289108230337 (9.61602e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289054289503 (9.54656e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 5.650289000730409 (9.479e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 5.650288947538981 (9.41393e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 5.650288894702843 (9.35105e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 5.650288842216428 (9.28916e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.65028879007867 (9.22745e-07% change) linmin: converged after 5 iterations. iteration 69: trace = 5.650288738271742 (9.1689e-07% change) resetting CG direction... large trace change predicted (0.0219511%) linmin: converged after 4 iterations. iteration 70: trace = 5.64903032302802 (0.0222742% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291212742171 (0.0130847% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952501326173 (0.00599689% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729842650739 (0.00394237% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486194152222 (0.00431419% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157356579553 (0.00582289% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835731077392 (0.00569551% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550214966825 (0.00505634% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220512186881 (0.00583918% change) large trace change predicted (0.0119209%) linmin: converged after 4 iterations. iteration 79: trace = 5.64551507554342 (0.0124947% change) large trace change predicted (0.0250175%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058656681537 (0.0258011% change) linmin: converged after 7 iterations. iteration 81: trace = 5.642273131390932 (0.0316405% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640697904059197 (0.0279222% change) linmin: converged after 7 iterations. iteration 83: trace = 5.63984485797904 (0.0151242% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288313336282 (0.00986857% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902602410139 (0.00683994% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726948718296 (0.00311508% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638858011665 (0.00156226% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595369382163 (0.000771264% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570484323941 (0.000441335% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555861747498 (0.000259332% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546191837316 (0.000171496% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539563345949 (0.000117557% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535838298758 (6.60641e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 5.638534036457183 (3.19558e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 5.638532920712363 (1.97879e-05% change) linmin: converged after 7 iterations. iteration 96: trace = 5.638532011416613 (1.61265e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531072732994 (1.66477e-05% change) linmin: converged after 6 iterations. iteration 98: trace = 5.638530025006578 (1.85816e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528496977349 (2.70998e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526248322741 (3.98802e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523965074012 (4.04937e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.638521697364039 (4.02182e-05% change) linmin: converged after 13 iterations. iteration 103: trace = 5.638518648988574 (5.40634e-05% change) linmin: converged after 10 iterations. iteration 104: trace = 5.638516668758926 (3.51197e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788106401 (1.56185e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475587027 (5.54258e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 5.638515353510284 (2.16505e-06% change) linmin: converged after 12 iterations. iteration 108: trace = 5.638515290917348 (1.1101e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251394711 (7.0094e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230497352 (3.70618e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 5.638515218975298 (2.04346e-07% change) linmin: converged after 25 iterations. iteration 112: trace = 5.638515214529265 (7.88511e-08% change) linmin: converged after 16 iterations. iteration 113: trace = 5.638515212755617 (3.1456e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211745045 (1.79227e-08% change) linmin: converged after 14 iterations. iteration 115: trace = 5.638515210945735 (1.41759e-08% change) linmin: converged after 11 iterations. iteration 116: trace = 5.638515210024359 (1.63408e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515209011968 (1.79549e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.638515207794927 (2.15844e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206516135 (2.26796e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.638515205038356 (2.62087e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202931114 (3.73723e-08% change) linmin: converged after 6 iterations. iteration 122: trace = 5.638515200854903 (3.68219e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 5.638515199087083 (3.13526e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198023093 (1.887e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197266766 (1.34136e-08% change) linmin: converged after 20 iterations. iteration 126: trace = 5.638515196709655 (9.88047e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250812 (8.13765e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990669 (4.61368e-09% change) linmin: converged after 7 iterations. iteration 129: trace = 5.638515195870576 (2.12987e-09% change) linmin: converged after 9 iterations. iteration 130: trace = 5.638515195810722 (1.06151e-09% change) linmin: converged after 8 iterations. iteration 131: trace = 5.638515195782563 (4.99417e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576964 (2.29176e-10% change) linmin: converged after 3 iterations. iteration 133: trace = 5.63851519576392 (1.01459e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 1.8182017803192139 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836776812 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920322789 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913833221 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117729327 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090729 (0.00623454% change) linmin: converged after 4 iterations. iteration 6: trace = 5.595227399874204 (0.0015346% change) linmin: converged after 14 iterations. iteration 7: trace = 5.59519831393708 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956774 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684434 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202268774 (3.23388e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.595179604043117 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571373 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.595179285473619 (4.58688e-07% change) linmin: converged after 24 iterations. iteration 15: trace = 5.595179276623078 (1.58182e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.595179273689021 (5.2439e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904638 (1.40189e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.595179272581779 (5.77031e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.595179272336521 (4.38338e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.595179272188361 (2.648e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.595179272063358 (2.23411e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.595179271964549 (1.76598e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 5.595179271878047 (1.546e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843309 (6.20864e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 5.59517927182701 (2.91304e-10% change) linmin: converged after 18 iterations. iteration 26: trace = 5.595179271819191 (1.39739e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.3349573612213135 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769396838 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358345 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100765367 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954553674 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315653 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291385 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907685 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250987 (0.000133931% change) linmin: converged after 4 iterations. iteration 10: trace = 5.577903978777093 (3.43225e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.577903462384925 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.57790335182199 (1.98216e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.577903319845038 (5.73279e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.577903310566395 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418651 (5.64324e-08% change) linmin: converged after 20 iterations. iteration 16: trace = 5.577903305861661 (2.79135e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.577903305185309 (1.21256e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.577903304857375 (5.87916e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.57790330471606 (2.53347e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.577903304686394 (5.31865e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.577903304676377 (1.79581e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.2777063846588135 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984195186 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174442 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607947972 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424401 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727512 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329972 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851766 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640577 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820747 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085783 (6.33306e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.594033390558402 (2.99699e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184887 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982709 (5.3486e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788911 (1.2564e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.594031455144977 (5.47797e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.594031432706867 (4.01108e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.594031422730698 (1.78336e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.594031418912026 (6.82633e-08% change) linmin: converged after 15 iterations. iteration 21: trace = 5.59403141767742 (2.20701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.594031417255707 (7.53863e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.594031417032634 (3.9877e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.594031416919611 (2.02041e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.594031416877138 (7.5925e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.594031416862819 (2.55973e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.32619786262512207 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023719 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639068033 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.64697745294418 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770696 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073964 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507560135 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056803 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858955272 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947465 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 4 iterations. iteration 10: trace = 5.641446879082053 (0.0102097% change) linmin: converged after 5 iterations. iteration 11: trace = 5.640440099441923 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644529 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778331 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718211 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782496 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.63747344756972 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805517 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771829 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137828 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196377 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685664 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828052 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 15 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 35 iterations. iteration 26: trace = 5.637415208122748 (9.86377e-07% change) linmin: converged after 24 iterations. iteration 27: trace = 5.637415147804388 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984466684 (2.89739e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.637414701464717 (5.02007e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.637414479206141 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382457989 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352167232 (5.37316e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883594 (1.64679e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 5.637414340072162 (4.98709e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 5.637414339312542 (1.34746e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.63741433891448 (7.06107e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 5.637414338639296 (4.88139e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.63741433845614 (3.24893e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381272 (1.32806e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.637414338346884 (6.09989e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338317711 (5.17491e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 5.637414338273104 (7.91267e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 5.63741433821137 (1.09509e-09% change) linmin: converged after 20 iterations. iteration 44: trace = 5.637414338111031 (1.77987e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 5.63741433801738 (1.66125e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962035 (9.81746e-10% change) linmin: converged after 8 iterations. iteration 47: trace = 5.637414337944453 (3.11872e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.6475727558135986 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58845996120054 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002229 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270349131 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661988 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483599115 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529973 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279461 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913094 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845807 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.518965434921136 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752566 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 15 iterations. iteration 14: trace = 5.518941629485422 (1.02203e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225257 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071711 (2.74573e-07% change) linmin: converged after 12 iterations. iteration 18: trace = 5.518941376509176 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239362 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978494 (2.28462e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520785 (8.29343e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.518941372298925 (4.01997e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.51894137216323 (2.45871e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.518941372061886 (1.83629e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.518941371930683 (2.37731e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759545 (3.10093e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614912 (2.62066e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.518941371516163 (1.78927e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440128 (1.37771e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.518941371369826 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.51894137133035 (7.15282e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.518941371316815 (2.45262e-10% change) linmin: converged after 18 iterations. iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.4117140769958496 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069231854 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100355 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958302 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261595155 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986708 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492325 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.34257673377283 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.34254020353794 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 5 iterations. iteration 10: trace = 5.342525583052339 (7.23916e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.342524762095747 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418492 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.342524468019509 (1.47951e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.342524466444304 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.342524466019545 (7.95053e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.342524465855403 (3.07236e-09% change) linmin: converged after 18 iterations. iteration 18: trace = 5.342524465750503 (1.96349e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.342524465692871 (1.07874e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655599 (6.97639e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.342524465621588 (6.36609e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.342524465595665 (4.85225e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.342524465572257 (4.38144e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.342524465547465 (4.64062e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.342524465528069 (3.6305e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517736 (1.93412e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.33917713165283203 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365977 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979981 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129167 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803611 (0.00667631% change) linmin: converged after 4 iterations. iteration 5: trace = 5.199636452166119 (0.00319678% change) linmin: converged after 11 iterations. iteration 6: trace = 5.199588777496309 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655153 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602095 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513331 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338575 (1.6774e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.199556282069325 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771246 (6.59635e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.199556240158948 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716337 (2.77449e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.199556238427382 (5.55729e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.199556238339889 (1.6827e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.199556238303392 (7.01926e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.199556238269373 (6.54268e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.199556238207714 (1.18585e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136205 (1.37529e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.19955623808818 (9.23648e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.199556238072939 (2.93124e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.2730686664581299 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560835 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653692732 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041817678 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935674 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.110110328941208 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675731 (0.00031223% change) linmin: converged after 3 iterations. iteration 7: trace = 5.110090048386217 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959183 (4.11818e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.110087209667761 (1.43694e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 5.110086882135968 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162778 (1.58458e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.110086778559403 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372885 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914102 (2.85471e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602329 (6.10113e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66936e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.110086770480933 (7.06255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.1100867704383 (8.343e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.110086770329221 (2.13458e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238314 (1.77897e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.35716e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192777 (1.55403e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.27725791931152344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.08296873445709 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848869 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833817 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208426 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273212 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056509 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475189 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733455 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883459 (1.00102e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.079827785437719 (4.02489e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842986 (7.60895e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756292 (2.13923e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.07982777053307 (4.39427e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31598e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.079827770421266 (8.84956e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346474 (1.47235e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176589 (3.3443e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54006e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.079827770077138 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.273266077041626 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386813067 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363848 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.14033682432069 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400264 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442868 (0.00263751% change) linmin: converged after 5 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704381 (0.000104222% change) linmin: converged after 4 iterations. iteration 8: trace = 5.139785473947313 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.139785114467225 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056226 (2.84858e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150693 (4.6022e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632526 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523805 (2.11528e-09% change) linmin: converged after 10 iterations. iteration 16: trace = 5.139784911497796 (5.06041e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 5.139784911491649 (1.19598e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.21564650535583496 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603153 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.31273543459494 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627236 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253759 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417094 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200669 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774418 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059662 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.30792741003905 (8.54198e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.30792522016629 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.30792450832233 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430647 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022226 (8.30536e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.307924174763156 (2.37206e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.307924174428118 (6.31203e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351104 (1.45092e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.307924174333357 (3.3436e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.24810290336608887 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532583 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670153495 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928004517 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461106 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983867 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468588 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129595 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409327 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920194 (0.00265341% change) linmin: converged after 7 iterations. iteration 10: trace = 5.515731715125206 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343586 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907218 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.51569198306254 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672617 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868781 (5.74368e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935376 (6.64545e-07% change) linmin: converged after 29 iterations. iteration 18: trace = 5.51569079095453 (3.25994e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.51569078272834 (1.49142e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.515690779523196 (5.81096e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.515690778440378 (1.96316e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.515690778101877 (6.13705e-09% change) linmin: converged after 20 iterations. iteration 23: trace = 5.515690777997043 (1.90066e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.51569077796538 (5.74047e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.515690777958354 (1.27389e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.2082819938659668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390343353 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271005885 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.63252208373286 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.62552951882026 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119122 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744261 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821263 (0.00597205% change) linmin: converged after 9 iterations. iteration 8: trace = 5.621208187043257 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602496656 (0.0032304% change) linmin: converged after 4 iterations. iteration 10: trace = 5.620814125083641 (0.00378012% change) linmin: converged after 3 iterations. iteration 11: trace = 5.620629887436438 (0.00327783% change) linmin: converged after 7 iterations. iteration 12: trace = 5.620459427784636 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874577292 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042908 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079252684 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.62031103997582 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265165606 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520932279 (1.32419e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 5.620308198035805 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374724 (2.43156e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.620308008166845 (9.46708e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991491019 (2.96707e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134831 (1.30886e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.620307981734177 (4.27139e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.620307979992978 (3.09805e-08% change) linmin: converged after 8 iterations. iteration 26: trace = 5.620307977675802 (4.12286e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 5.62030797474326 (5.21776e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553187 (3.89671e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72521e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 5.620307971162819 (7.48619e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6203079709569 (3.66384e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 5.620307970850902 (1.88598e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 5.620307970806838 (7.84019e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792952 (2.47064e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.4189453125 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446691 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175108849 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561600693 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700180744 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909078 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256972 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503535 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634297 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186191996 (0.00483861% change) linmin: converged after 5 iterations. iteration 10: trace = 5.667311953686994 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477888356 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098482 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953576945 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771166633 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443339882 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313306814 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363234167 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397509292 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317433015 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.63393489491962 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468037331 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076469179 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.63151624016928 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940296936 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098024456 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619588494 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621832449 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051203279 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.62960577704948 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361168565 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147451477 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226392969 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024981242 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733956371 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222964411 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867564224 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408054762 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004567635 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468539465 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.62893221276024 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703760266 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770131388 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295237322 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548975525 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203513 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480395514 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.62887385527329 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914587953 (3.44773e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 5.628870173455476 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872042864 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579468 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350733 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394931 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.62886603893755 (7.70062e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 5.62886573363008 (5.42396e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 5.628865472838771 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.628865257055425 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351745 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865831 (2.54911e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 5.628864787389207 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742341 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628915 (1.76081e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681037 (1.52691e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.62886442356569 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045474 (9.68583e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 5.628864328357649 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294910065 (5.94215e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268960117 (4.61016e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245245671 (4.21301e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818001 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805083 (4.44369e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.62886417649749 (1.65355e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40386e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611668 (3.05264e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125662 (8.63417e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899495 (4.01798e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 5.628864169746248 (2.72252e-09% change) linmin: converged after 5 iterations. iteration 78: trace = 5.628864169565651 (3.20841e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372569 (3.43023e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215252 (2.79482e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 5.628864169115525 (1.7717e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 5.628864169056971 (1.04025e-09% change) linmin: converged after 11 iterations. iteration 83: trace = 5.628864169025799 (5.53796e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 5.628864169015145 (1.89269e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.8494956493377686 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% total elapsed time for run: 7.391138076782227 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013713836669921875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078471 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902672 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369703 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403792 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716687 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249235 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294318 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362646 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445946 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176244 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558812 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487522 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025643 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020271 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.48380114171588 (0.000107795% change) linmin: converged after 10 iterations. iteration 18: trace = 4.483800147423096 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914352 (7.14815e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 4.483799489839024 (7.51763e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967853178 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525218377 (9.87187e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 4.483798337445188 (4.18782e-06% change) linmin: converged after 7 iterations. iteration 24: trace = 4.483798287890266 (1.1052e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798277712628 (2.26987e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798275623183 (4.65999e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.483798275083284 (1.20411e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 4.483798274909358 (3.879e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857846 (1.14884e-09% change) linmin: converged after 10 iterations. iteration 30: trace = 4.483798274835885 (4.89788e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.4837982747952 (9.07373e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.483798274730355 (1.44621e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 4.483798274703627 (5.96101e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697107 (1.45415e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.33842897415161133 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509170385 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523987969934 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416315925295 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019479978 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350048561 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733721918 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457669709 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753658963 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171477376 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740996535 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582171 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223499 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280681 (2.48273e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.398156022880001 (1.21506e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.39815575235398 (6.1509e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622498218 (2.9525e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576367896 (1.04886e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776307 (5.36397e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 4.398155541734073 (2.51065e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009729 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105945 (4.3286e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748286 (8.13204e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 4.398155533692945 (1.25827e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670937 (5.00396e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656857 (3.20121e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.39815553365001 (1.55698e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.30402541160583496 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064832369 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172035457 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488861989 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930288 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819518 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301333 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31446586390868 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.31446585576822 (1.5967e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.314465855720847 (1.098e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.314465855716318 (1.04989e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.13618874549865723 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869057 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762702 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922877 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302127 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218789 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820415 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801436 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.2526e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.256363888498841 (1.78226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.13894939422607422 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891604 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314516 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317788 (0.0143588% change) linmin: converged after 8 iterations. iteration 4: trace = 4.226142669225807 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204354 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419109 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906936 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849791 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571847 (4.63151e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 4.226095324437822 (3.17135e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430023 (1.84546e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.1302027702331543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436596976 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957612 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951641 (0.0260571% change) linmin: converged after 10 iterations. iteration 4: trace = 4.217912996839637 (0.00925361% change) linmin: converged after 5 iterations. iteration 5: trace = 4.217806962656632 (0.00251393% change) linmin: converged after 9 iterations. iteration 6: trace = 4.217779234764804 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280908 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251987 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111439 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03793e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.217772179377826 (4.43248e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.217772179362668 (3.59376e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.217772179355181 (1.77498e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.0875387191772461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451164 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729062 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.20543792525936 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514317 (0.000307858% change) linmin: converged after 29 iterations. iteration 6: trace = 4.205423872193348 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220985 (9.98053e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.205423828175205 (4.86462e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042199 (3.16274e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029007 (3.13693e-10% change) linmin: converged after 6 iterations. iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.11641144752502441 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576091 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703043 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295243 (0.0152081% change) linmin: converged after 5 iterations. iteration 4: trace = 4.182595255887836 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 4.182592321790135 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 19 iterations. iteration 8: trace = 4.182592281925398 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109054 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032474 (1.83091e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.182592281023937 (2.04112e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.13986468315124512 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921067 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845074 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16797869350233 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187497 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647444 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625674 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608131 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.167811239290017 (3.53269e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.167811239280089 (2.38187e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.1684398651123047 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659225 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398401 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577484 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733768 (0.00231195% change) linmin: converged after 5 iterations. iteration 6: trace = 4.16902380410991 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.169023319376684 (3.44364e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.169023318685015 (2.93168e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.169023318668819 (3.88483e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.17516732215881348 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141918 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979967 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778533 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.178673127808471 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930245 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328831 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170099 (2.77297e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089365 (1.72803e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.2521977424621582 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 10 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860607693 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801931357 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321531 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796296 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194859 (0.00179738% change) linmin: converged after 5 iterations. iteration 8: trace = 4.141013513514405 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787888 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996667 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.141012578052824 (3.03415e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041202 (2.80652e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036988 (1.01772e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.24526309967041016 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043481693 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504552 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545613 (0.0160227% change) linmin: converged after 14 iterations. iteration 4: trace = 4.141348425305269 (0.00143332% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855833 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72872e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701249 (4.93767e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.16789031028747559 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789268 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060026 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044298 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 29 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039916 (1.42962e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952428 (2.07635e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.213521375942169 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.16778278350830078 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252275 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771354 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079407 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185595 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323275 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 6 iterations. iteration 7: trace = 4.345426500208693 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439357 (8.48638e-06% change) linmin: converged after 17 iterations. iteration 9: trace = 4.345426090356747 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357088 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96454e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.345426086022092 (7.44627e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.17087984085083008 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222198 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170298 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449571 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153424 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712791 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858018 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436465 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992108 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539711 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156654 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483799885096502 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938856 (6.82808e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289055 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128174 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624252 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127834 (1.44886e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611385 (3.38206e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 4.483798754481978 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451529 (6.79079e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 4.483798754422116 (6.55982e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.483798754387671 (7.68218e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356928 (6.85636e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.483798754303908 (1.1825e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.48379875427857 (5.6508e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.483798754271722 (1.52744e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.483798754265766 (1.32817e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 6 iterations. iteration 32: trace = 4.483798754244152 (4.82062e-10% change) large trace change predicted (2.6894e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123567 (2.68934e-09% change) large trace change predicted (9.03518e-09%) linmin: converged after 5 iterations. iteration 34: trace = 4.483798753718449 (9.03516e-09% change) large trace change predicted (3.80042e-08%) linmin: converged after 3 iterations. iteration 35: trace = 4.483798752014425 (3.8004e-08% change) large trace change predicted (1.44447e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538273 (1.44434e-07% change) large trace change predicted (4.63378e-07%) linmin: converged after 6 iterations. iteration 37: trace = 4.48379872477563 (4.63059e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696719777 (6.25716e-07% change) linmin: converged after 14 iterations. iteration 39: trace = 4.483798668072068 (6.38916e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643130926 (5.5625e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621858712 (4.74424e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 12 iterations. iteration 42: trace = 4.483798561180511 (1.35328e-06% change) large trace change predicted (5.83318e-06%) linmin: converged after 6 iterations. iteration 43: trace = 4.483798313956219 (5.51372e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.483798101265305 (4.74354e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058281495 (9.58647e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 4.483798047911615 (2.31274e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 4.483798039715489 (1.82794e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036699957 (6.7254e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.483798033244328 (7.70692e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.483798027631948 (1.2517e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.483798025313344 (5.17107e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 4.483798024489732 (1.83686e-08% change) linmin: converged after 13 iterations. iteration 53: trace = 4.483798024240048 (5.56858e-09% change) linmin: converged after 2 iterations. iteration 54: trace = 4.483798024202118 (8.45947e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024192735 (2.09258e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185385 (1.63916e-10% change) large trace change predicted (3.44338e-10%) linmin: converged after 7 iterations. iteration 57: trace = 4.483798024169943 (3.44412e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 4.483798024159209 (2.39387e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.6271448135375977 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% total elapsed time for run: 3.3811113834381104 done /tmp/meep4PaIBY/test_sq_rods-0: 10.77s /tmp/meep4PaIBY/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.012217283248901367 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218044 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031393 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897935054 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907892 (6.90243% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2726168891851928 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210187 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.270421571645273 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472927 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135553 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972978 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755979 (0.046255% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2687078756607025 (0.014923% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2686863756597033 (0.00800157% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2686684185723042 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148093189 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052174897 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.268650950503293 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755131 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381174944 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710397 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062641 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341955125 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830083235 (1.90535e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569010618 (9.71797e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.2686493401671162 (6.22892e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250872 (5.26412e-06% change) linmin: converged after 12 iterations. iteration 27: trace = 0.2686493177549078 (3.07843e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.2686493141307413 (1.34903e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 0.2686493133317409 (2.97414e-07% change) linmin: converged after 7 iterations. iteration 30: trace = 0.2686493131406225 (7.11405e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.2686493130940624 (1.73312e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.268649313082798 (4.19299e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 0.2686493130763812 (2.38853e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130708934 (2.04275e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 0.2686493130667944 (1.52578e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.2686493130651829 (5.99848e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130645911 (2.20289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640042 (2.1847e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635511 (1.68673e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631626 (1.44579e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 1.0498108863830566 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131381576 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019994 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640738 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602465 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521679113 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178682 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319568 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784771 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212717 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060079 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452281 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828896 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207711 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585739 (2.20243e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.6068839789046552 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900675 (3.97351e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 0.6068839452457329 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137347 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794916 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027517 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340783 (6.07486e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282147 (1.74438e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.6068839394969752 (5.14754e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888997 (1.33064e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 0.6068839394859056 (4.93366e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838392 (3.40485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.6068839394826193 (2.01013e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 0.6068839394820106 (1.00305e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.8275063037872314 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181613 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229645 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809651 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015784 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510491 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043626 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955793 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669003 (0.000337651% change) linmin: converged after 6 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 17 iterations. iteration 19: trace = 1.207704566628019 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535783024 (2.55402e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.207704518965968 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350417 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33354e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.20770449198717 (4.55948e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731007 (2.69616e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630344 (9.11368e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187936 (3.66322e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 1.207704487019392 (1.39558e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953282 (5.474e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 1.207704486927158 (2.16307e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 1.207704486920011 (5.91798e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917498 (2.08052e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.9005579948425293 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.937534840468752 (4.15315% change) linmin: converged after 6 iterations. iteration 2: trace = 1.902810987183435 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028835154 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677878067 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637832564 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797860613 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431334522 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285430755 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588927 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159769 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357905 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103174 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261392 (0.000349609% change) linmin: converged after 5 iterations. iteration 14: trace = 1.883193887272418 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574137 (1.55045e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151877 (1.8818e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.883192748042752 (5.89909e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542448 (6.37476e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093157 (2.38579e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 1.883192742911179 (9.66329e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851265 (3.18149e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827555 (1.25902e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817964 (5.09294e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 1.883192742814812 (1.67383e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.5943164825439453 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 2.691331240743783 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720214913 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792343676 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156555789 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929367222 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470542893 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.61859509533755 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948572113 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559983025121 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632724415 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668769023 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524621448 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071043019 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354163475 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510497537 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153526517 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749286691 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130108292 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970903 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033707185 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019618 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624077 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336466 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417451 (0.000117119% change) linmin: converged after 5 iterations. iteration 25: trace = 2.604109427544265 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320861 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206233 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.60410665152511 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464846 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639464 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753172 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.60410607419584 (2.51746e-06% change) linmin: converged after 12 iterations. iteration 33: trace = 2.604106025604114 (1.86597e-06% change) linmin: converged after 12 iterations. iteration 34: trace = 2.604105990411492 (1.35143e-06% change) linmin: converged after 25 iterations. iteration 35: trace = 2.60410597070486 (7.56752e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023718 (3.33364e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861818 (1.59821e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505369 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483433 (7.76441e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144455 (5.1418e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136531 (3.87052e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573186 (2.16329e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.604105950242608 (1.26945e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072068 (6.54891e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 2.604105949971554 (3.8598e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909474 (2.38395e-09% change) linmin: converged after 11 iterations. iteration 47: trace = 2.604105949872306 (1.42729e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 2.60410594984933 (8.8231e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 2.604105949833435 (6.10376e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821812 (4.46322e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814575 (2.7792e-10% change) linmin: converged after 13 iterations. iteration 52: trace = 2.604105949811262 (1.27201e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 1.0814592838287354 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069778824 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355632402 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549827901 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698865646 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158371629 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784711398 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703166 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966339 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607465 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397923 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524611 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.17097706778243 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710284 (0.000133684% change) linmin: converged after 5 iterations. iteration 14: trace = 3.170971244290354 (4.99664e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 3.170970553226561 (2.17934e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164109814 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317302 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220375 (5.3917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225221 (3.15208e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061014 (1.94395e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145856 (9.19327e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948772 (3.77514e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397891 (4.27185e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352964 (1.41681e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335021 (5.65851e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 3.170970083326956 (2.54356e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.4714658260345459 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.70542176664522 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297975054 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008005009 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312741 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936595 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636358 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.6661505829781 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642431 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925824 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.66611614266722 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266013 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515089 (1.8418e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 3.666115174200297 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 3.666115167237352 (1.67208e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888864 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571151 (8.6662e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 5 iterations. iteration 21: trace = 3.666115165884806 (1.87213e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.666115164273169 (4.39604e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161714989 (6.9779e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 3.666115159305658 (6.57189e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 3.666115157581601 (4.70268e-08% change) linmin: converged after 28 iterations. iteration 26: trace = 3.666115156371115 (3.30182e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 3.666115155743585 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488845 (6.94848e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 3.66611515541628 (1.97934e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 3.666115155394754 (5.87182e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388817 (1.61931e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.42107057571411133 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358289504 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338437884 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135161 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16489707270989 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358549 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568919 (0.00460398% change) linmin: converged after 5 iterations. iteration 7: trace = 4.164369177258053 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357718 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.1643375227512 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.1643358438107 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889637 (1.2269e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16433523099087 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539397 (6.83218e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 4.1643351877567 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932876 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.1643351293438 (1.02271e-06% change) large trace change predicted (8.89361e-06%) linmin: converged after 8 iterations. iteration 17: trace = 4.164334759043552 (8.89218e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.16316758638906 (0.0280318% change) linmin: converged after 9 iterations. iteration 19: trace = 4.163166876293172 (1.70566e-05% change) linmin: converged after 7 iterations. iteration 20: trace = 4.163166163752942 (1.71153e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165449011131 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.16316473228248 (1.7216e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.163164013755316 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163293593025 (1.72984e-05% change) linmin: converged after 9 iterations. iteration 25: trace = 4.163162571935903 (1.73343e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.163161848902639 (1.73674e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161124591937 (1.73981e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.163160399084225 (1.74268e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.163159672443065 (1.74541e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.163158944716526 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158215938651 (1.75054e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157486130701 (1.75302e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.163156755302264 (1.75547e-05% change) linmin: converged after 21 iterations. iteration 34: trace = 4.163156023429362 (1.75798e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 4.163155290546891 (1.7604e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154556597316 (1.76296e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153821571862 (1.76555e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.163153085450248 (1.76818e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.163152348177279 (1.77095e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.163151609704363 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150869986995 (1.77682e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150128967145 (1.77995e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.163149386585701 (1.78322e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148642780136 (1.78664e-05% change) linmin: converged after 10 iterations. iteration 45: trace = 4.163147897482164 (1.79023e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 4.16314715062773 (1.79397e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.163146402144422 (1.79788e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.163145651958501 (1.80197e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 4.163144899994773 (1.80624e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144146176415 (1.81069e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.163143390425138 (1.81534e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142632661325 (1.82017e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.163141872804288 (1.8252e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.16314111077236 (1.83043e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 4.163140346483049 (1.83585e-05% change) linmin: converged after 12 iterations. iteration 56: trace = 4.163139579853148 (1.84147e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.163138810798954 (1.84729e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.163138039236278 (1.85332e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.163137265080522 (1.85955e-05% change) linmin: converged after 15 iterations. iteration 60: trace = 4.163136488246822 (1.86598e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.163135708650155 (1.87262e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.16313492620536 (1.87946e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 4.163134140827234 (1.88651e-05% change) linmin: converged after 7 iterations. iteration 64: trace = 4.163133352430576 (1.89376e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 4.163132560930322 (1.90121e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.163131766241523 (1.90887e-05% change) linmin: converged after 10 iterations. iteration 67: trace = 4.163130968279442 (1.91674e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.163130166959633 (1.9248e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 4.163129362197923 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754269036366 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730774648329 (0.0727984% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327728248673 (0.0338% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564355410396 (0.0183948% change) linmin: converged after 9 iterations. iteration 74: trace = 4.149045216918441 (0.0125115% change) linmin: converged after 3 iterations. iteration 75: trace = 4.148540739501984 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913030488091 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.14696335293775 (0.0228979% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419664772184 (0.0372315% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768420700608 (0.0398409% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813620967517 (0.0230445% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427718641198 (0.00931542% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326847935 (0.00285807% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291862667 (0.000942353% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228354433 (0.000267088% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098558954 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825495718 (5.4875e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854562075 (2.34398e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458252493 (9.56749e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 4.142250016021885 (1.06761e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199751446 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059527486 (2.75267e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.14224631521294 (4.21103e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417574321 (2.16703e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181154404 (5.70753e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107964157 (1.76692e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102449 (4.79491e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893952 (2.7059e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669594 (1.26124e-07% change) linmin: converged after 2 iterations. iteration 99: trace = 4.142245069755909 (4.61992e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000636 (1.82334e-08% change) linmin: converged after 3 iterations. iteration 101: trace = 4.142245068687432 (7.56123e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 4.142245068426584 (6.29725e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.14224506802549 (9.68302e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241705 (1.89217e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287538 (2.3035e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572554 (1.72608e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259731 (7.55203e-09% change) linmin: converged after 12 iterations. iteration 108: trace = 4.142245065162615 (2.34453e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142515 (4.85231e-10% change) linmin: converged after 5 iterations. iteration 110: trace = 4.142245065136632 (1.42032e-10% change) linmin: converged after 2 iterations. iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 2.4669182300567627 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874563 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826522 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438755 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353985 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855446 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65868325667982 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128436 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170776 (3.60526e-06% change) linmin: converged after 34 iterations. iteration 9: trace = 4.658682176904288 (1.03605e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.658682160894788 (3.43649e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157651009 (6.96287e-08% change) linmin: converged after 13 iterations. iteration 12: trace = 4.658682156823364 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624814 (4.26193e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534685 (1.93464e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472834 (1.32767e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406861 (1.41613e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.658682156300657 (2.2797e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170637 (2.79091e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.658682156060237 (2.36978e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004986 (2.56691e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.5823798179626465 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684254 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996172 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030691 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241163 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252783 (0.000386828% change) linmin: converged after 5 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024473 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503556 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532259 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078972 (6.60812e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909169 (4.13833e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839987 (1.32385e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820714 (3.68812e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.3919823169708252 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654952 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.84554894659623 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013053 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146368 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450393 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856534 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.84497036803691 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596862 (1.77273e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13524e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 5.844970311258017 (3.4415e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.33922386169433594 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 9.149667024612427 done /tmp/meep4PaIBY/test_strip-0: 9.16s /tmp/meep4PaIBY/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009479999542236328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.4947805404663086 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.6326489448547363 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.4288442134857178 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.4818856716156006 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.5467948913574219 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.7330453395843506 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.4392545223236084 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.36205554008483887 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2999138832092285 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.27217912673950195 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.28039073944091797 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.21974754333496094 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.30993223190307617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.2912306785583496 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.41013002395629883 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.983544111251831 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 8.197121381759644 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meep4PaIBY/test_subpixel_averaging-0-epsilon.h5... /tmp/meep4PaIBY/test_subpixel_averaging-0: 8.26s /tmp/meep4PaIBY/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.2015516757965088 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579249 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233731 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.39752372069761 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543341 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370429 (3.67554% change) linmin: converged after 5 iterations. iteration 6: trace = 2.048480958527572 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743659615 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675658027 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177321921 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040466618259406 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065982352 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287643 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825954 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970569 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622575 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340879 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845959 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642774 (1.8724e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 2.040335654413402 (8.9345e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040335648243747 (3.02384e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 2.040335646291806 (9.56677e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 2.04033564561653 (3.30963e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 2.040335645457566 (7.79107e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.040335645416252 (2.02487e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404155 (5.92892e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.040335645401636 (1.23432e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 15.901632070541382 total elapsed time for run: 16.10327434539795 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.20886754989624023 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965928 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771015 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015089 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662612 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471264 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165624 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.49999224211558 (2.08233% change) linmin: converged after 5 iterations. iteration 9: trace = 2.481050506315754 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47318361058262 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990917 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895061 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620012 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373048 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297651 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 2.470086726387079 (4.93464e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 2.470086678531701 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747166 (1.28678e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470086621328261 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230554 (8.94613e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12576e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435126 (7.58034e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 2.470086542626187 (7.20984e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 2.470086525398639 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443814 (6.86406e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470086491432141 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971004 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551509 (7.45702e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 2.470086412632964 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334096 (1.10518e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 2.470086350578639 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711495 (1.89739e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 2.470086256803584 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470086237769362 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711381 (4.07191e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 2.470086220769965 (2.81019e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470086215312805 (2.2093e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 2.470086210703905 (1.86589e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470086206637606 (1.64622e-07% change) linmin: converged after 5 iterations. iteration 42: trace = 2.470086202945012 (1.49493e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 2.470086199523804 (1.38506e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470086196306484 (1.30251e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 2.470086193246972 (1.23863e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.470086190311444 (1.18843e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474318 (1.14859e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.470086184715327 (1.11696e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470086182017742 (1.0921e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179367615 (1.07289e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752181 (1.05884e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 2.470086174160263 (1.04932e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580709 (1.04432e-07% change) linmin: converged after 9 iterations. iteration 54: trace = 2.47008616900312 (1.04352e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.470086166416444 (1.0472e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 2.470086163809907 (1.05524e-07% change) linmin: converged after 8 iterations. iteration 57: trace = 2.470086161171471 (1.06816e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488062 (1.08636e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745094 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 2.470086152925734 (1.1414e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150010395 (1.18026e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470086146975367 (1.22871e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 2.470086143791794 (1.28885e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.47008614042227 (1.36413e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818356 (1.45902e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.47008613291373 (1.58077e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 2.470086128613541 (1.74091e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470086123774848 (1.95892e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118170149 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08616e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992402971 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449075 (3.03447e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857051819 (2.44515e-06% change) linmin: converged after 10 iterations. iteration 73: trace = 2.470085794434165 (2.53504e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684656471 (4.44429e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666272392 (7.44269e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659657276 (2.67809e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 2.470085656852766 (1.13539e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 2.470085655579518 (5.15467e-08% change) linmin: converged after 15 iterations. iteration 79: trace = 2.470085654980333 (2.42576e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 2.470085654692695 (1.16449e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.47008565455298 (5.65628e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.47008565448481 (2.75986e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654451496 (1.34869e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 2.470085654435226 (6.58668e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 2.470085654427465 (3.14196e-10% change) linmin: converged after 16 iterations. iteration 86: trace = 2.470085654423682 (1.53178e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 36.834372997283936 total elapsed time for run: 37.04334831237793 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.2008211612701416 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363324203114509 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763914 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784823 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306889 (3.2827% change) linmin: converged after 6 iterations. iteration 6: trace = 2.396838326976499 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615586 (2.28738% change) linmin: converged after 7 iterations. iteration 8: trace = 2.313897281250125 (1.23423% change) linmin: converged after 6 iterations. iteration 9: trace = 2.300812929616366 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307690695 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109433266 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222393112 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668030191 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588857 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338953 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.29369419440961 (0.00280739% change) linmin: converged after 7 iterations. iteration 17: trace = 2.293618199025774 (0.00331329% change) linmin: converged after 7 iterations. iteration 18: trace = 2.293528069881335 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293451007226641 (0.00336006% change) linmin: converged after 8 iterations. iteration 20: trace = 2.293406432494042 (0.00194358% change) linmin: converged after 5 iterations. iteration 21: trace = 2.293384561775683 (0.000953639% change) linmin: converged after 5 iterations. iteration 22: trace = 2.293373743494189 (0.000471718% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474414736 (0.000142545% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293369520043941 (4.16143e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293369112326042 (1.77781e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 2.293368934281367 (7.76346e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844736433 (3.90452e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 2.293368821069992 (1.03195e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820578205 (2.14439e-08% change) linmin: converged after 15 iterations. iteration 30: trace = 2.293368820560684 (7.63951e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 13.352985858917236 total elapsed time for run: 13.553919792175293 done /tmp/meep4PaIBY/test_symmetry_overlap-0: 68.49s /tmp/meep4PaIBY/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.014219999313354492 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972894 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168695 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652265 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709515 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223162 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935832 (1.62145% change) linmin: converged after 8 iterations. iteration 7: trace = 4.52509608637615 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158225 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502826 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855648 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636293 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036768 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411062 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333839 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544561 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036361 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.45298990841828 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844816 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931157147 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453559 (0.00383691% change) linmin: converged after 5 iterations. iteration 24: trace = 4.452296186462407 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807934144 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093897 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503797 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675563 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809165 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355107926 (4.64224e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.451950388858642 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.451949935124777 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721654937 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042385 (1.87811e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 4.451949603090662 (7.85088e-07% change) linmin: converged after 10 iterations. iteration 36: trace = 4.451949587124878 (3.58625e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 4.451949578414573 (1.95651e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497659 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787107 (6.08846e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043551 (3.91639e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780466 (5.08336e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367793 (9.91178e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074521 (2.08746e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843078 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999953 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238304 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159151 (9.16262e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.451949516240864 (6.55508e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.451949514432178 (4.06268e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681809 (1.68548e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.451949513453071 (5.13793e-09% change) linmin: converged after 12 iterations. iteration 52: trace = 4.451949513392949 (1.35046e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373067 (4.46608e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.451949513363684 (2.10755e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.451949513358428 (1.18066e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.3966999053955078 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47594446708455 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557564652 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947747928 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142575571 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419379508 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349480991 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882291995668 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095551343 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970880233 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380044759 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568819666 (0.0378343% change) linmin: converged after 10 iterations. iteration 12: trace = 4.460811970277925 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283478679 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661364628 (0.0104415% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458964421199068 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960323483 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092727452 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032336828 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161081643 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017351457 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.45889596075534 (2.36964e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419253098 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086285063 (7.4675e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672876793 (9.27154e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966784354 (1.58356e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812036253 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286692 (2.92169e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613824 (2.32271e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458889874545344 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685652 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.45888952643595 (2.1586e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458889488492838 (8.50954e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720224 (3.31307e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.45888946816392 (1.24612e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 4.458889466116759 (4.59119e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 4.45888946524228 (1.9612e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752234 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.4588894644632 (6.48219e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280369 (4.10038e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100636 (4.03088e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458889463833435 (5.99255e-09% change) linmin: converged after 7 iterations. iteration 42: trace = 4.458889463451232 (8.5717e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.458889462992349 (1.02914e-08% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458889462497352 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139591 (8.02354e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 4.458889461932944 (4.63448e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 4.458889461821264 (2.50467e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773406 (1.07331e-09% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458889461754992 (4.12986e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458889461749086 (1.32443e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.47013115882873535 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134805232 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356464682 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.48359772319342 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957788 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223193 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539243 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618931 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761942899 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982614 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834768 (0.00206155% change) linmin: converged after 13 iterations. iteration 11: trace = 4.481640274020332 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826549 (0.00118906% change) linmin: converged after 5 iterations. iteration 13: trace = 4.481566235482779 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049679 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 4.481555115788896 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617398 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435327 (1.8561e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.481554649662253 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.481554642967519 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848156 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163128 (1.52855e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.481554639855202 (6.87097e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686879 (3.75591e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.481554639614053 (1.625e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958997 (5.3738e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.481554639582904 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.3235008716583252 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972900394 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948842903 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322902087 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093386124 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372590857 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483921439 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775355565 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839527 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.53425029643229 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094432772 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850401082 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751425728 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054622 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109358 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207084 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653652 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917887 (3.63315e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 4.53423941526584 (1.75668e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 4.534239379667346 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364457 (2.0517e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024673 (5.16026e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 4.534239367497578 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336916 (3.54332e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284071 (1.16546e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267459 (3.66359e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.534239367261488 (1.31692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.34810543060302734 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992372711 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.6140413474812 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.61047769647457 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813617704 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375121 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207422 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312376 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687175 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209591 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307485 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156396 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851829 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045066 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828223 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.60727349105639 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326171 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.60727339645474 (5.83239e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999384 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222187 (2.33917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.607273363837915 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409584 (1.61231e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713705 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035127 (3.64332e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.607273350488983 (1.1854e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318332 (3.70395e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.22828e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.7812e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217991 (3.71482e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209259 (1.8952e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.34647607803344727 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286201939 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.67858755927342 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103069 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259231 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777872 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558654 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536877 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992827 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920621 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042732 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959346 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969572 (0.00130354% change) linmin: converged after 5 iterations. iteration 13: trace = 4.654589608102698 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988865 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756915 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912179 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099503 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003201 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952053 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788886 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229811 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130684 (8.80665e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195758 (4.15703e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.654583750968559 (2.63654e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.654583749955052 (2.17744e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.654583749144854 (1.74064e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504239 (1.37631e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161551 (7.36237e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65458374803795 (2.65546e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 4.654583747984037 (1.15828e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952655 (6.74217e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.654583747932777 (4.2707e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63119e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.654583747914256 (1.34794e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.40335726737976074 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594692 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315041 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612591 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655547 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979108 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112099 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920459 (0.00121226% change) linmin: converged after 5 iterations. iteration 8: trace = 4.65781204755369 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687837 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529403 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123242 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154767 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65780251250674 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.6578024827709 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850044 (4.92096e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.657802440944282 (4.05894e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141304 (2.3603e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226822 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927214 (4.93711e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388961 (3.30253e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.657802403523613 (1.85785e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.657802403119728 (8.67115e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.657802402939369 (3.87219e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884991 (1.16746e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.657802402867798 (3.6913e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 4.657802402862908 (1.04992e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.3879685401916504 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728065847 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935694965 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123381 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611373 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138923 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370009 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309043 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510089 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686899 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975308 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241917 (1.80783e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918578 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252445055 (1.91711e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 4.667096174501475 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228516 (9.91472e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109587968 (3.99404e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.667096103667988 (1.26845e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.667096101434449 (4.78571e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309831 (2.40967e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 4.667096099663392 (1.3851e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284753 (8.11295e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.66709609908991 (4.17481e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.66709609900776 (1.7602e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.667096098964764 (9.21254e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.667096098939577 (5.39671e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919733 (4.25202e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892164 (2.16778e-10% change) linmin: converged after 15 iterations. iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.26801347732543945 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093032177 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164773 (0.058537% change) linmin: converged after 3 iterations. iteration 3: trace = 4.682869930576683 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068316317 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008873 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922102 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566263 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725991 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224002 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998083 (2.86061e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.681615858546355 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378891 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362362 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712051 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242017 (3.64127e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.681614726230351 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.68161462095171 (2.01837e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.681614615856853 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123163 (7.97522e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813805 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684865 (1.98441e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 4.681614605285612 (8.52811e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099324 (3.97913e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.681614605024981 (1.58798e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 4.681614605000406 (5.24926e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.681614604988978 (2.44108e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 4.681614604983472 (1.17605e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.2171783447265625 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233832 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398454 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685245 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701877 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544942 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100543 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958633 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548925 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630877 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929802 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407021 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426752 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699698 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785059 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691024 (1.54915e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 4.699961225600806 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583666 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235768 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889878 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.699960551853538 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.69996054723549 (9.82572e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971039 (2.69034e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 4.699960545396193 (1.22309e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.699960545062289 (7.10439e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.699960544894044 (3.57971e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.699960544831154 (1.3381e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.699960544805101 (5.54341e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792848 (2.60692e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.699960544786444 (1.36251e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.5593063831329346 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835505287 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797492552 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191086882 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201509452 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799142 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630346546 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321785012 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657789942 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335517 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508681744 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814604564 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348472877 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280307735 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 15 iterations. iteration 14: trace = 4.719718876294719 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476238337 (0.0017247% change) linmin: converged after 3 iterations. iteration 16: trace = 4.719538716015165 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199514753 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067157387 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660985 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779897166 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996963679 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.71917349179555 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308651 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935975 (4.34478e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310743 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764345 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213012 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194017 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924096 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750429895 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982211 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738001871 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732533893 (1.15867e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729191952 (7.08164e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 4.719164727748357 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.71916472725019 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984241 (5.63551e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 4.719164726836323 (3.13441e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.719164726707298 (2.73406e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548755 (3.35956e-09% change) linmin: converged after 10 iterations. iteration 41: trace = 4.719164726296947 (5.33585e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852078 (9.42686e-09% change) linmin: converged after 13 iterations. iteration 43: trace = 4.719164725066077 (1.66555e-08% change) linmin: converged after 14 iterations. iteration 44: trace = 4.71916472372212 (2.84787e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419702 (2.75985e-08% change) linmin: converged after 16 iterations. iteration 46: trace = 4.719164721562477 (1.81648e-08% change) linmin: converged after 21 iterations. iteration 47: trace = 4.719164720988466 (1.21634e-08% change) linmin: converged after 12 iterations. iteration 48: trace = 4.719164720623193 (7.74021e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038204 (5.11008e-09% change) linmin: converged after 10 iterations. iteration 50: trace = 4.719164720281913 (2.12171e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56096e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 4.719164720225395 (3.41539e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.5956244468688965 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380167901 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472712366 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.66134504154787 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551873837 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250136 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65439933608623 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783703 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429475 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231966 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128501 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293428 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342972 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859846 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162117 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65395702585214 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560747 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769952 (1.13432e-06% change) linmin: converged after 13 iterations. iteration 18: trace = 4.653956841201484 (7.42776e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 4.653956819085474 (4.75209e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.653956809935063 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517482 (7.34339e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199021 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.65395680466305 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367976 (6.34029e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.653956804189207 (3.84123e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.65395680409557 (2.01199e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.653956804061929 (7.2284e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.653956804052053 (2.12199e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.34627580642700195 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978578234 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860619992 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780098 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726858 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753179 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276804 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406301 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954823 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055283 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810887 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483525 (3.27061e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.565737552537141 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290494 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646702 (7.98073e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 4.565737534603485 (2.28488e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315074 (6.31686e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 4.565737534206797 (2.37151e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.565737534143939 (1.37674e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.565737534100027 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070947 (6.36915e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96591e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 4.56573753404194 (2.38729e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34032e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.3469202518463135 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892092 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737254 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798947 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235535 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031106 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672337 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148995 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167791 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160997 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 4.495299593694352 (8.04779e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.495299585129781 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.4952995829639 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 28 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.495299580823784 (1.61394e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 4.495299579922003 (2.00605e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325445 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.49529957906551 (5.78236e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.49529957896095 (2.326e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.49529957891384 (1.04798e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42795e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886663 (1.61758e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.2509474754333496 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790979 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880157 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093497 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439719 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137268 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332467 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597414 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667408 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980006 (2.95275e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202189 (6.65185e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989759 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422028 (5.75393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021078 (7.62106e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904024 (1.59483e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.46256994368324 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609524 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927913 (1.49726e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053902 (8.68112e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.462569921863484 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105942 (1.69755e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 4.462569920846194 (5.82059e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 4.462569920755986 (2.02143e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708029 (1.07465e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.462569920679469 (6.39996e-10% change) linmin: converged after 15 iterations. iteration 30: trace = 4.462569920665285 (3.17848e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.32392096519470215 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603819 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062341 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409604 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144574 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383897 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908739186 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123712 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085926 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309902849 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439019 (0.000191865% change) linmin: converged after 6 iterations. iteration 11: trace = 4.458585207925357 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.45858449001386 (1.61018e-05% change) linmin: converged after 24 iterations. iteration 13: trace = 4.458584277335135 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200806313 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120826 (1.09195e-06% change) linmin: converged after 14 iterations. iteration 16: trace = 4.458584133462662 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789706 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093987 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089635 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760502 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135795 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 12 iterations. iteration 22: trace = 4.458584003454766 (1.49557e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248651 (5.0735e-06% change) near maximum in trace linmin: converged after 18 iterations. iteration 24: trace = 4.458459762226113 (0.00278153% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458097222653 (3.73448e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458456435414942 (3.72732e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454780836334 (3.7111e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453133770327 (3.69425e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451492344961 (3.6816e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449853546941 (3.67571e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448213826725 (3.67778e-05% change) linmin: converged after 9 iterations. iteration 32: trace = 4.458446569444464 (3.68824e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.458444916661476 (3.70708e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443251842857 (3.73408e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441571511066 (3.76888e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872373875 (3.81106e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.45843815133906 (3.86017e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.458436405527778 (3.91575e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458434632293662 (3.97726e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829221961 (4.04418e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 4.458430994161017 (4.11593e-05% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458429125248355 (4.19186e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.458427220938673 (4.27126e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.458425280015929 (4.35338e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301666431 (4.43733e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421285489043 (4.52218e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419231568029 (4.60684e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458417140375668 (4.69044e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458415012986048 (4.77163e-05% change) linmin: converged after 9 iterations. iteration 50: trace = 4.458412850959375 (4.84932e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.458410656393371 (4.9223e-05% change) linmin: converged after 10 iterations. iteration 52: trace = 4.458408431819379 (4.98961e-05% change) linmin: converged after 15 iterations. iteration 53: trace = 4.458406180361353 (5.04992e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 4.458403905412517 (5.10261e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45840161065304 (5.14704e-05% change) linmin: converged after 16 iterations. iteration 56: trace = 4.458399300195559 (5.18226e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.458396978238211 (5.20805e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.458394649064632 (5.22424e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 4.45839231672281 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389985422865 (5.22902e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387658799612 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385340460435 (5.19995e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033641146 (5.17412e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380740987514 (5.14234e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378464950087 (5.10508e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376207509239 (5.06337e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.458373970256708 (5.01809e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.458371754419538 (4.97006e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369560891834 (4.92002e-05% change) resetting CG direction... large trace change predicted (0.0705967%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218432031194 (0.0707039% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076300097985 (0.0256391% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233408933235 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380332034 (0.0108473% change) linmin: converged after 3 iterations. iteration 74: trace = 4.45248621999205 (0.0059327% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238135297291 (0.00235527% change) linmin: converged after 4 iterations. iteration 76: trace = 4.452332140018962 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312679335096 (0.000437091% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300707160372 (0.000268898% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288391133961 (0.000276622% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272801291765 (0.000350154% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249228852717 (0.000529449% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204258025057 (0.00101007% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844389218 (0.00189601% change) linmin: converged after 3 iterations. iteration 84: trace = 4.45203054303226 (0.00200584% change) linmin: converged after 5 iterations. iteration 85: trace = 4.451975522790121 (0.00123585% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336683962 (0.000430958% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182947111 (0.000115763% change) linmin: converged after 3 iterations. iteration 88: trace = 4.45194992695437 (2.82122e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717591 (6.5867e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555039655 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224505 (6.24786e-07% change) linmin: converged after 20 iterations. iteration 92: trace = 4.451949519989437 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321356 (3.74686e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531383 (1.77444e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951701959 (1.14959e-08% change) linmin: converged after 11 iterations. iteration 96: trace = 4.451949516565071 (1.02094e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516311299 (5.70025e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.45194951618584 (2.81806e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516111402 (1.67202e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515959129 (3.42038e-09% change) linmin: converged after 5 iterations. iteration 101: trace = 4.45194951567253 (6.43759e-09% change) linmin: converged after 3 iterations. iteration 102: trace = 4.451949515253565 (9.41083e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776373 (1.07187e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168423 (1.36558e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 4.451949513641425 (1.18375e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.45194951344526 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374773 (1.5833e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356691 (4.06149e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.5890834331512451 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% total elapsed time for run: 6.189021825790405 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0020782947540283203 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498543 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776488 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741099 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173162 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422818 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034309393 (0.00139898% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862568116843556 (0.00272191% change) linmin: converged after 5 iterations. iteration 13: trace = 2.862522529156347 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023053621 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.8624970244307 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372417 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834021 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.8624907260452 (4.88347e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.862490708248829 (6.21709e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703921476 (1.51174e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442617 (1.21533e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 2.862490696942737 (1.22267e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617053 (8.12468e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 2.862490692196367 (8.45658e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.862490689635969 (8.94465e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688812153 (2.87797e-08% change) linmin: converged after 14 iterations. iteration 27: trace = 2.86249068865775 (5.39401e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 2.862490688633992 (8.29988e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625448 (2.98475e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 2.862490688620294 (1.80041e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.141066312789917 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533744322 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885401787 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720077269 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000258409 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496133744 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889967723 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090223 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260289 (0.000764311% change) linmin: converged after 4 iterations. iteration 9: trace = 2.835302898412854 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980056 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354519 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476825 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 9 iterations. iteration 15: trace = 2.835301329637784 (4.99079e-08% change) linmin: converged after 25 iterations. iteration 16: trace = 2.835301328974365 (2.33985e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 2.835301328638409 (1.18491e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502631 (4.78884e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 2.83530132848065 (7.75249e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.11735963821411133 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583435341 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333248 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.7959288782003 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181542 (0.00566543% change) linmin: converged after 9 iterations. iteration 5: trace = 2.795670517948602 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105357 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060591 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521838 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408565 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968428 (2.66134e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760073 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631208 (4.60951e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.79563087161296 (6.52735e-10% change) linmin: converged after 9 iterations. iteration 14: trace = 2.795630871602821 (3.62689e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598374 (1.59058e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.08786797523498535 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.774998560215885 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227236 (0.0992805% change) linmin: converged after 5 iterations. iteration 3: trace = 2.771711795790375 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908644 (0.0039227% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77157333986107 (0.00107274% change) linmin: converged after 4 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.771565848864933 (7.31123e-05% change) linmin: converged after 23 iterations. iteration 8: trace = 2.771565436133743 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911649 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637125 (1.18147e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.771565390406327 (8.32735e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.771565390385135 (7.6462e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.771565390382112 (1.09069e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.08111691474914551 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.76986289767915 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.7662366764232 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799331567 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212057 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243719 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702739 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.764617446459626 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488824 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736615 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306763 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69258e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.13359284400939941 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 10 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058566 (1.55062e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765514659876092 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313923 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454889 (6.7009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.76551465439036 (2.33334e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376136 (5.14325e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.10837316513061523 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432193024 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833952 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765336 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101838 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162027 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.765656108679672 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612789 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432821 (4.01172e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370315 (2.26008e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76565609734533 (9.03415e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.10971593856811523 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313224 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249722 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889404 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279491 (2.41324e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785974 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560162 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061447 (2.59585e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.76644039305401 (2.68819e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.054473161697387695 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893328 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76931008042447 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 9 iterations. iteration 4: trace = 2.768934648753342 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394437 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76890656309236 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159755 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76890602455087 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 9 iterations. iteration 11: trace = 2.768905997652202 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400177 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267474 (4.79261e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251331 (5.83013e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.15317034721374512 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394892 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720279 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612554751 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.77456099507157 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593258473 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311689 (0.000121388% change) linmin: converged after 5 iterations. iteration 7: trace = 2.77453070076803 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.7745303594983 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863123143 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 17 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 2.774529531015568 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846425 (6.09627e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97101e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826867 (1.07816e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.17205524444580078 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010558214 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864088619 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622949262 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529272439 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018960979 (0.00116742% change) linmin: converged after 6 iterations. iteration 6: trace = 2.784775033132307 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387040601 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863705416 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806706098 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582967 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945227 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152179 (7.1462e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 2.784404189729956 (7.48534e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 2.78440415106141 (1.38875e-06% change) linmin: converged after 25 iterations. iteration 15: trace = 2.784404143391648 (2.75454e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 2.784404142114112 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807702 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512631 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 13 iterations. iteration 19: trace = 2.784404140423732 (3.91071e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.784404132526765 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138651 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765973 (1.33845e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.784404130704082 (2.22279e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699125 (1.78041e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.3125269412994385 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.77275399721332 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262717903 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048706148 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76629435931601 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431585 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76627605571663 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375514 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025943 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526924 (9.03387e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.76627569428374 (8.79103e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243459 (1.45613e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766275694206311 (1.34287e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188479 (6.4462e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.766275694185662 (1.01845e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.17669916152954102 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.77149286581312 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222237 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 4 iterations. iteration 5: trace = 2.76576896412909 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476074 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509603 (1.26426e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21763e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968937 (1.34217e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.16576766967773438 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.791470836862398 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099723 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.78692603308995 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715398 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429703 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476857 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414127 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368142 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92231e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005849 (1.94108e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.15748095512390137 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065332 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 5 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.82930572621851 (0.0013011% change) linmin: converged after 6 iterations. iteration 7: trace = 2.829276325559083 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342432 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813132 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334401 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435277 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036006 (1.41121e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.829270279947548 (3.12655e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913449 (1.20522e-09% change) linmin: converged after 11 iterations. iteration 15: trace = 2.82927027989919 (5.03975e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 2.829270279889812 (3.31473e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885793 (1.42035e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.2192525863647461 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.886141685835956 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321654 (0.411006% change) linmin: converged after 12 iterations. iteration 3: trace = 2.867461048283285 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.86397233934153 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579745 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462697 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164019 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998312602 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269431 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328795 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519861274 (0.00130139% change) linmin: converged after 10 iterations. iteration 12: trace = 2.862492614384059 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676318 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354844 (1.8977e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862490815153666 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134773 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516468 (9.299e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725277 (7.26332e-07% change) linmin: converged after 28 iterations. iteration 20: trace = 2.862490701040741 (8.97279e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405778 (3.71528e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920428 (5.18901e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 2.86249068872468 (6.83836e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 2.862490688677492 (1.64851e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490688650855 (9.30535e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.86249068864038 (3.65962e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.862490688636751 (1.2675e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688630886 (2.0491e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688622828 (2.81503e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 2.862490688619476 (1.171e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.31304478645324707 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834% Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714% Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% total elapsed time for run: 2.506946086883545 done /tmp/meep4PaIBY/test_tri_holes-0: 8.70s /tmp/meep4PaIBY/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.013562679290771484 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.24180960655212402 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.22648191452026367 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.18048429489135742 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.16521239280700684 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.1700611114501953 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.1578378677368164 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.1464245319366455 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.1627366542816162 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.1279888153076172 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.12422895431518555 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.10875606536865234 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meep4PaIBY/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.1358661651611328 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.14688801765441895 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.1378793716430664 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.16949772834777832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.16359424591064453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 2.637070417404175 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014843940734863281 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168523 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233164 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283942 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309336 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004687213 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953073519 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911349093 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952690525 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566821 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085006945 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845128731 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896002 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733839418 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657484 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189226 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212499 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898328 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793511 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735023 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041604 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474109 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318142 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163241 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945473 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725811 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520899 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519164 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714785 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594259 (2.86547e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.205340285757588 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.20533940186276 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538782249 (1.39087e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.205338005701472 (8.59068e-06% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337792804401 (3.43087e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727926739 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663021 (4.39359e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682075854 (2.99535e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235149 (1.90815e-07% change) linmin: converged after 16 iterations. iteration 40: trace = 6.205337663603182 (1.06875e-07% change) linmin: converged after 17 iterations. iteration 41: trace = 6.205337659444976 (6.70102e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270723 (5.11536e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 6.205337653590539 (4.31916e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674612 (3.08755e-08% change) linmin: converged after 11 iterations. iteration 45: trace = 6.205337650112214 (2.51783e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 6.205337648922311 (1.91755e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 6.205337648157427 (1.23262e-08% change) linmin: converged after 11 iterations. iteration 48: trace = 6.205337647646608 (8.23193e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357136 (4.66488e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220228 (2.2063e-09% change) linmin: converged after 7 iterations. iteration 51: trace = 6.205337647170962 (7.93921e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 6.205337647152469 (2.98014e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143446 (1.45421e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136502 (1.119e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.20533764713018 (1.01881e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.5573618412017822 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024420285 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659807416 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798306 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.0743767056313 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542617 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874287 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858648 (0.00713657% change) linmin: converged after 4 iterations. iteration 8: trace = 6.070592820913727 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682327 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951306 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656812 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551028 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.070460137715083 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900737 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276794 (2.2443e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.070460079863565 (1.15841e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.07046007280923 (4.27112e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 6.070460071630645 (1.94151e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141092 (8.06452e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.070460070886771 (4.18948e-09% change) linmin: converged after 17 iterations. iteration 26: trace = 6.070460070770777 (1.9108e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 6.070460070719212 (8.49426e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 6.070460070698457 (3.41915e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.070460070686249 (2.01105e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677964 (1.36479e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.34842371940612793 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450105075 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164990823 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248091473 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.85734339458572 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107861 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447974 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142867 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.8562580469796 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313772 (0.000174901% change) linmin: converged after 4 iterations. iteration 10: trace = 5.85624293285553 (8.3184e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.856240727525849 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988362 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767128 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910514 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124198 (1.53317e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 5.856237751868005 (4.3127e-07% change) linmin: converged after 14 iterations. iteration 17: trace = 5.856237743987796 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787504 (5.46476e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.856237739089932 (2.89874e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.856237737682887 (2.40264e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.856237736546375 (1.94069e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790081 (1.29143e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 5.856237735217746 (9.77308e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.856237734948408 (4.59917e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.85623773479514 (2.61718e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.856237734734318 (1.03858e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 5.8562377347143 (3.4182e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10047e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.3643217086791992 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296912762 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679271 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103612 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559956 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031131 (0.00345165% change) linmin: converged after 4 iterations. iteration 6: trace = 5.679338397146944 (0.000753833% change) linmin: converged after 3 iterations. iteration 7: trace = 5.679327009082156 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429015 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.679318695796002 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872693 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996136 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.67931632497745 (3.5571e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.679316236097754 (2.8645e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.679316231672791 (7.79137e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.679316229977098 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108179 (1.52997e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.679316228341648 (1.34969e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.679316227585913 (1.33068e-08% change) linmin: converged after 11 iterations. iteration 20: trace = 5.679316226988038 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97502e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.679316226637818 (1.19157e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.679316226609474 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600841 (1.52009e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.3148763179779053 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213523258 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925705777 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.567657736853494 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135015 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.56737762049015 (0.00119534% change) linmin: converged after 3 iterations. iteration 6: trace = 5.567363512847024 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913097 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549423 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479846 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846613 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067824 (2.42088e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 5.56735695750588 (6.02834e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567356948843483 (1.55593e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.56735694679832 (3.67349e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.567356946093132 (1.26665e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.2051e-09% change) linmin: converged after 23 iterations. iteration 17: trace = 5.567356945304206 (5.96547e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.567356944950225 (6.35815e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.567356944690506 (4.66504e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.567356944584955 (1.89588e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567356944550361 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542208 (1.46436e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.25614476203918457 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.53273810674195 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108783 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715253 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820751 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152151 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469025 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624154 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.529271606108956 (1.14032e-05% change) linmin: converged after 26 iterations. iteration 9: trace = 5.529271436020496 (3.07615e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.529271373878374 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740965 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549563 (9.38894e-08% change) linmin: converged after 6 iterations. iteration 14: trace = 5.529271314495562 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233555 (4.73853e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.529271314081587 (2.74843e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.529271313980214 (1.83339e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.529271313876957 (1.86746e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.52927131377775 (1.79421e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.529271313733426 (8.01618e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.529271313721342 (2.18556e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.23749732971191406 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517448269 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185471011 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111629 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711818752 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996529 (0.00522181% change) linmin: converged after 5 iterations. iteration 6: trace = 5.53223657988561 (0.00192029% change) linmin: converged after 10 iterations. iteration 7: trace = 5.532184612246406 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409572 (0.000349281% change) linmin: converged after 6 iterations. iteration 9: trace = 5.53215699790288 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963375 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741139 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436557 (3.25921e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036561 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.532153606672814 (1.43955e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.53215360642539 (4.47248e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.532153606309885 (2.08788e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.532153606171856 (1.19987e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115745 (1.01426e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.532153606087498 (5.10608e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.532153606073365 (2.55465e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.2719705104827881 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467671 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135058995 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333638 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928369 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921414 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866182 (0.000173854% change) linmin: converged after 8 iterations. iteration 10: trace = 5.534696883149076 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656427 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069314 (3.82292e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.534696023141974 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432254 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023212 (1.15798e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 5.534695995144546 (3.39434e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.534695994510907 (1.14485e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.534695994207872 (5.47519e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20656e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.534695993871264 (2.87522e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.534695993784569 (1.56638e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 5.534695993753224 (5.66347e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742776 (1.88766e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.3170051574707031 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339880242 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895847705 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731458 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466732 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141118 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433148 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010757 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125395 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729434 (5.83375e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.527140472049874 (1.59518e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332194 (1.55184e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 5.527140039497723 (4.31226e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.527140027391178 (6.10863e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708313 (3.04473e-08% change) linmin: converged after 14 iterations. iteration 18: trace = 5.527140024739849 (1.7522e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.52714002424971 (8.86785e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.527140024034408 (3.89537e-09% change) linmin: converged after 16 iterations. iteration 21: trace = 5.527140023982145 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969887 (2.2179e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.216996431350708 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858711453 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.51765344023986 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145978647 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127697 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135095 (0.00687383% change) linmin: converged after 12 iterations. iteration 6: trace = 5.514652113037982 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232259413 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888306563 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299159 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956496 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925765 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.51458155129702 (3.67442e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.514581501626841 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384362 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12645e-08% change) linmin: converged after 37 iterations. iteration 16: trace = 5.514581486953495 (1.90837e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.514581486665204 (5.2278e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577281 (1.59437e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.514581486551829 (4.6155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.514581486536885 (2.70983e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.51458148652924 (1.3864e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.18661975860595703 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883722 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342044 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143087 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981763 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131319 (0.00308906% change) linmin: converged after 4 iterations. iteration 6: trace = 5.508683639257633 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.50865412206727 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.50864669288852 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.50864236513062 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323828 (1.86628e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.50864223788113 (4.43715e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589994 (7.78982e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232834 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37482e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135503 (3.92056e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.1511077880859375 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313115 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881417 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342469 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670534 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830601 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395565 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 5 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 10 iterations. iteration 9: trace = 5.538951634380076 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.538948192460806 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307317 (6.44804e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.538947686577423 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561917 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030138 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905355 (7.44687e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187684 (1.29568e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.538947612989022 (3.58665e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948638 (7.29086e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937269 (2.0525e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.20264434814453125 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200611738 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549608877 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479454456 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868749102 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321496212 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264222 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368233 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755414 (0.000551003% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636896042414138 (0.000160804% change) linmin: converged after 4 iterations. iteration 10: trace = 5.636893338294144 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.63689288185743 (8.09731e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.636892759768465 (2.16589e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.636892722735103 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210973 (1.86701e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.636892708239743 (7.04507e-08% change) linmin: converged after 29 iterations. iteration 16: trace = 5.636892706830092 (2.50076e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.636892706179626 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778898 (7.10903e-09% change) linmin: converged after 18 iterations. iteration 19: trace = 5.636892705608984 (3.01432e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.2129957675933838 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293691 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946631749 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.80959695559026 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036811325 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684314398 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579808 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899011 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546474 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771279 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624893 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317815 (9.46769e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.807439494876415 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552949 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284365 (1.39695e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.807436289960402 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.807436162892385 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334485 (6.29502e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.807436112416773 (1.49919e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.807436112088626 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990084 (1.69682e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 5.807436111928493 (1.06055e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.807436111892697 (6.16387e-10% change) linmin: converged after 10 iterations. iteration 25: trace = 5.807436111861503 (5.37134e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844972 (2.84648e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.2646455764770508 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406366 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444727 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.0428693536347 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071303 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957603 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541457 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732385 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498154 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.039366429150508 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543021 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154679 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291315 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 4 iterations. iteration 14: trace = 6.039151356031256 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361488 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716701 (4.84579e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998382 (1.05701e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226732 (7.96695e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437229 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747735014 (1.16277e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 13 iterations. iteration 26: trace = 6.039148746498664 (1.0021e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995293 (8.33513e-09% change) linmin: converged after 27 iterations. iteration 28: trace = 6.039148745700733 (4.87751e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 6.039148745569342 (2.17565e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510182 (9.79605e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.039148745490022 (3.33834e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.32923007011413574 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915271923 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546859799 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898405 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635419504 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511515 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175369097 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982919507 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637845149 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505964936 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423106 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953115949 (0.000392759% change) linmin: converged after 4 iterations. iteration 12: trace = 6.205389695901296 (0.000229755% change) linmin: converged after 8 iterations. iteration 13: trace = 6.205378818817473 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022899885 (0.000157862% change) linmin: converged after 4 iterations. iteration 15: trace = 6.205362148408089 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892521 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566777 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171193 (6.66264e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 6.205340291032243 (4.98947e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895537121 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830022 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122779 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118102 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263875 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834897 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438697 (3.77033e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.20533765017481 (1.33174e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379762 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.20533764781293 (9.1346e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526114 (4.62208e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.205337647305309 (3.5583e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.205337647187878 (1.89243e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139043 (7.86979e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.205337647127346 (1.8849e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.29671573638916016 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% total elapsed time for run: 4.531339406967163 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meep4PaIBY/test_tri_rods-0: 7.30s /tmp/meep4PaIBY/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001466512680053711 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.20262479782104492 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.1830763816833496 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.1307535171508789 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.1064310073852539 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.12252950668334961 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.11417317390441895 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.12717318534851074 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.1470661163330078 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.12029337882995605 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.12464308738708496 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.11285090446472168 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957313 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510742 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378012 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525582 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317017 (2.34222e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309857 (1.70554e-10% change) linmin: converged after 15 iterations. iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.13146352767944336 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370458 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102653 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.28326648899116 (2.21481e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.12317514419555664 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 6 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016632 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309542 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561977 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546349 (3.54377e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.1005563735961914 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101822 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.54456039825868 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323391 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319922 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738525 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91743e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781561 (2.75014e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1520531177520752 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274213 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330618 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379698 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189922 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102074 (0.000900408% change) linmin: converged after 6 iterations. iteration 7: trace = 4.577900193795435 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955969 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.577894647524328 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981878 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684427 (1.91275e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.577894626586346 (2.14248e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894626572483 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(25.58264195080356) not less than or equal to np.float64(0.03691917149561623) : ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list self.check_freqs(expected_gap_list, result) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 571, in test_output_efield_z self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(2.35577178501025e-08) not less than or equal to np.float64(1.446824213066321e-08) : ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- Ran 47 tests in 1238.224s FAILED (failures=5) elapsed time for k point: 0.13583755493164062 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 2.1374168395996094 done /tmp/meep4PaIBY/test_triangular_lattice-0: 2.14s /tmp/meep4PaIBY/test_update_band_range_data-0 ======================== /tmp/meep4PaIBY/test_update_band_range_data-0: 0.00s Elapsed run time = 1238.5322 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition =================================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_mode_decomposition.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-pxztcydv because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.31402e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 6.19888e-05 s multilevel atom susceptibility ----------- Meep progress: 744.45/7000.0 = 10.6% done in 4.0s, 33.6s to go on time step 59556 (time=744.45), 6.71935e-05 s/step Meep progress: 1508.5375000000001/7000.0 = 21.6% done in 8.0s, 29.2s to go on time step 120683 (time=1508.54), 6.56335e-05 s/step Meep progress: 2207.3625/7000.0 = 31.5% done in 12.0s, 26.1s to go on time step 176589 (time=2207.36), 7.16914e-05 s/step Meep progress: 2907.05/7000.0 = 41.5% done in 16.0s, 22.6s to go on time step 232567 (time=2907.09), 7.14569e-05 s/step Meep progress: 3660.2375/7000.0 = 52.3% done in 20.0s, 18.3s to go on time step 292819 (time=3660.24), 6.65846e-05 s/step Meep progress: 4437.1375/7000.0 = 63.4% done in 24.0s, 13.9s to go on time step 354971 (time=4437.14), 6.46152e-05 s/step Meep progress: 5716.925/7000.0 = 81.7% done in 28.1s, 6.3s to go on time step 457354 (time=5716.93), 3.92253e-05 s/step Meep progress: 6864.962500000001/7000.0 = 98.1% done in 32.1s, 0.6s to go on time step 549199 (time=6864.99), 4.35518e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) ~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 4536, in run self._run_until(until, step_funcs) ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 2841, in _run_until _eval_step_func(self, func, "finish") ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5006, in _eval_step_func func(sim, todo) ~~~~^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5087, in _end _eval_step_func(sim, func, "step") ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5004, in _eval_step_func func(sim) ~~~~^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- Ran 1 test in 32.967s FAILED (failures=1) Elapsed run time = 32.9969 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_pml_cyl ======================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_pml_cyl.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-htmkdjui because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000144005 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.0576649 s ----------- Meep: using output directory '/tmp/meepa902cR' creating output file "/tmp/meepa902cR/test_ring-eps-000000.00.h5"... Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000125885 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.0607269 s ----------- Meep: using output directory '/tmp/meepa902cR' Meep progress: 331.35/400.0 = 82.8% done in 4.0s, 0.8s to go on time step 6628 (time=331.4), 0.000603547 s/step /usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate. pq = linalg.solve(C, an) . ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_ring.py", line 67, in test_harminv self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference) ---------------------------------------------------------------------- Ran 2 tests in 34.598s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 35.1822 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' Byte-compiling python modules... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (more optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' Byte-compiling python modules... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' Byte-compiling python modules... mpb.py solver.py mpb_data.py Byte-compiling python modules (optimized versions) ... mpb.py solver.py mpb_data.py Byte-compiling python modules (more optimized versions) ... mpb.py solver.py mpb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyExc_TypeError: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_Size: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_numpy3 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI dh_numpy3: warning: skipping binary package libmeep33 which does not depend on the NumPy C ABI dh_numpy3: warning: skipping binary package libmeep-dev which does not depend on the NumPy C ABI make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/1494244/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/1494244 and its subdirectories I: Current time: Mon Mar 3 19:59:54 +14 2025 I: pbuilder-time-stamp: 1740981594